SCHEMBL7089394

SCHEMBL7089394

COc1ccccc1CCC(=O)NC[C@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
HPGD P15428 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
TACR1 P25103 1/20 0.49
LMNA P02545 2/20 0.49
HCRTR1 O43613 1/20 0.49
POLB P06746 1/20 0.49
HTR2A P28223 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL6306640 1.00 MAPT (0.61) MAPTHPGDMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6306434 0.99 MAPT (0.60) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL9751554 0.84 MEN1 (0.67) MAPTHPGDMEN1KMT2AGAA
SCHEMBL7086279 0.84 MAPT (0.56) MAPTHPGDMEN1KMT2ATACR1
SCHEMBL6306786 0.84 MAPT (0.56) MAPTHPGDMEN1KMT2ATACR1
SCHEMBL27382648 0.83 L3MBTL1 (0.65) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL7086322 0.82 MAPT (0.54) MAPTHPGDMEN1KMT2ACYP1A2
SCHEMBL6307079 0.82 MAPT (0.54) MAPTHPGDMEN1KMT2ACYP1A2
SCHEMBL7088984 0.82 TACR1 (0.66) MAPTMEN1KMT2ATACR1POLB
Hydrochloric Acid SCHEMBL8968030 0.81 MAPT (0.57) MAPTHPGDMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005454-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 EP disclosed
US-6358994-B1 2-((2-PHENOXY)ACETYL)AMINO-3-(1H-INDOL-3-YL)-1-(N-2 -METHOXYBENZYL)ACETYLAMINO)PROPANE ELI LILLY AND COMPANY 2002-03-19 US disclosed
US-6339094-B1 FOR THERAPY OF CONDITION ASSOCIATED WITH AN EXCESS OF TACHYKININS SUCH AS MIGRANE HEADACHES ELI LILLY AND COMPANY 2002-01-15 US disclosed
EP-0693489-B1 Heterocyclic tachykinin receptor antagonist LILLY CO ELI (US) 2001-09-12 EP disclosed
EP-1003723-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2000-11-02 EP disclosed
EP-0912178-A4 METHODS OF TREATING HYPERTENSION LILLY CO ELI (US) 2000-08-16 EP disclosed
EP-0932406-A4 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS LILLY CO ELI (US) 2000-07-05 EP disclosed
EP-1005454-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-06-07 EP disclosed
EP-1003723-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-05-31 EP disclosed
US-6017930-A Methods of treating or preventing interstitial cystitis ELI LILLY AND COMPANY (US) 2000-01-25 US disclosed
WO-1996041633-A1 METHODS OF TREATING COLD AND ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1996-12-27 WO disclosed
EP-0747055-A2 Use of tachykinin receptors antagonists for the treatment of cold and allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 EP disclosed
EP-0747049-A1 Use of tachykinin antagonists in combination with serotonin agonists or serotonin reuptake inhibitors for the manufacture of a medicament for the treatment of allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 EP disclosed
WO-1996029074-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
WO-1996024353-A1 METHODS OF TREATING OR PREVENTING PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY (US) 1996-08-15 WO disclosed
US-5530009-A TREATING ASTHMA ELI LILLY AND COMPANY (US) 1996-06-25 US disclosed
EP-0710479-A1 Use of a serotonin agonist in combination with a tachykinin receptor antagonist for the manufacture of a medicament for the treatment or prevention of migraine ELI LILLY AND COMPANY (US) 1996-05-08 EP disclosed
WO-1996011000-A1 METHODS OF TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1996-04-18 WO disclosed
WO-1996001819-A1 HETEROCYCLIC TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-01-25 WO disclosed
EP-0693489-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-24 EP disclosed