SCHEMBL3500563

SCHEMBL3500563

CCN(CC)CCOc1ccc(Cl)cc1C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.59
ALDH1A1 P00352 4/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
AKR1C3 P42330 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
LRRK2 Q5S007 1/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
TMPRSS4 Q9NRS4 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
KDR P35968 1/20 0.50
LCLAT1 Q6UWP7 1/20 0.49
HPGD P15428 1/20 0.49
PNLIP P16233 1/20 0.48

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
SCHEMBL3500700 0.86 MCHR1 (0.59) MCHR1ALDH1A1MAPTNPSR1KDM4E
Salverine SCHEMBL25064 0.86 ALDH1A1 (0.70) MCHR1ALDH1A1GAAMAPTNPSR1
Salverine SCHEMBL29360867 0.86 ALDH1A1 (0.70) MCHR1ALDH1A1GAAMAPTNPSR1
Salverine SCHEMBL29375616 0.84 ALDH1A1 (0.68) MCHR1ALDH1A1GAAMAPTNPSR1
SCHEMBL11715405 0.81 KDM4E (0.52) MCHR1ALDH1A1GAAMAPTKDM4E
SCHEMBL11570896 0.81 SMN1; SMN2 (0.50) MCHR1ALDH1A1GAAMAPTHTT
SCHEMBL13683766 0.80 KDR (0.61) MCHR1ALDH1A1GAAMAPTHTT
Hypochlorous Acid SCHEMBL9144744 0.78 KDM4E (0.49) MCHR1ALDH1A1GAAKDM4ELMNA
SCHEMBL3498180 0.78 HRH3 (0.55) MCHR1ALDH1A1NPSR1KDM4ELMNA
SCHEMBL17740367 0.78 ALDH1A1 (0.77) ALDH1A1GAAMAPTHTTNPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184033-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY Lineage Cell Therapeutics, Inc. 2010-07-22 US disclosed
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed