SCHEMBL3266047

SCHEMBL3266047

NC(CCCc1ccccc1)CCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.59
S1PR4 O95977 1/20 0.59
S1PR1 P21453 1/20 0.59
S1PR3 Q99500 1/20 0.59
MAOA P21397 1/20 0.54
GRIK1 P39086 1/20 0.53
EPHX1 P07099 1/20 0.52
MAOB P27338 2/20 0.52
HTR2A P28223 2/20 0.52
IDO1 P14902 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
ANPEP P15144 2/20 0.47
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
HTR3A P46098 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1979100 0.98 S1PR2 (0.57) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL9367447 0.92 MAOA (0.57) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL11134033 0.90 S1PR2 (0.51) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL7622782 0.89 MAOA (0.54) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL8634823 0.89 EPHX1 (0.64) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL6820062 0.87 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL6820069 0.87 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL5681048 0.87 ANPEP (0.59) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL11098738 0.87 S1PR2 (0.49) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL7309652 0.87 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326840-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2012-04-11 EP disclosed
EP-1326840-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2012-04-11 EP disclosed
EP-1326834-B1 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS H LEE MOFFITT CANCER CT & RES (US) 2011-06-29 EP disclosed
EP-1326833-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2010-06-02 EP disclosed
EP-1326833-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2010-06-02 EP disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7304053-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2007-12-04 US disclosed
US-7304053-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2007-12-04 US disclosed
WO-2001010836-A1 METHOD OF TREATING HAIR LOSS USING MULTIVALENT KETOAMIDES AND AMIDES THE PROCTER & GAMBLE COMPANY (US) 2001-02-15 WO disclosed
WO-2001010821-A1 MULTIVALENT EXOCYCLIC DIKETO COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2001-02-15 WO disclosed
WO-2001010837-A1 MULTIVALENT SULFONAMIDES THE PROCTER & GAMBLE COMPANY (US) 2001-02-15 WO disclosed
WO-2001010839-A2 MULTIVALENT SUBSTITUTED KETOAMIDES AND AMIDES FOR TREATING HAIR LOSS THE PROCTER & GAMBLE COMPANY (US) 2001-02-15 WO disclosed
WO-2001010838-A1 MULTIVALENT COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2001-02-15 WO disclosed
WO-2000018733-A1 HETEROCYCLIC 2-SUBSTITUTED KETOAMIDES USEFUL FOR TREATING HAIR LOSS IN MAMMALS THE PROCTER & GAMBLE COMPANY (US) 2000-04-06 WO disclosed
WO-2000018358-A2 METHOD OF TREATING HAIR LOSS USING KETOAMIDES THE PROCTER & GAMBLE COMPANY (US) 2000-04-06 WO disclosed
WO-2000018361-A2 METHOD OF TREATING HAIR LOSS USING SULFONAMIDES THE PROCTER & GAMBLE COMPANY (US) 2000-04-06 WO disclosed
WO-2000018735-A1 2-SUBSTITUTED HETEROCYCLIC SULFONAMIDES THE PROCTER & GAMBLE COMPANY (US) 2000-04-06 WO disclosed
WO-2000018725-A1 2-SUBSTITUTED KETOAMIDES THE PROCTER & GAMBLE COMPANY (US) 2000-04-06 WO disclosed