SCHEMBL8895086

SCHEMBL8895086

CC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MC5R P33032 4/20 0.50
MC3R P41968 3/20 0.50
CCKBR P32239 2/20 0.48
MC4R P32245 2/20 0.48
TACR1 P25103 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
SCHEMBL8895076 1.00 KMT2A (0.51) KMT2ATAAR1MC5RMC3RCCKBR
SCHEMBL9541025 0.79 TACR1 (0.45) KMT2ATAAR1CCKBRTACR1
SCHEMBL8892454 0.78 KDM4E (0.49) KMT2ACCKBRTACR1
SCHEMBL8892465 0.78 KDM4E (0.49) KMT2ACCKBRTACR1
SCHEMBL6892600 0.78 KMT2A (0.55) KMT2ATAAR1CCKBR
SCHEMBL8704391 0.76 CCKBR (0.49) KMT2ATAAR1MC5RMC3RCCKBR
SCHEMBL10625743 0.75 CCKBR (0.68) CCKBRTACR1
SCHEMBL9086070 0.74 KMT2A (0.56) KMT2ATAAR1MC5RMC3RCCKBR
SCHEMBL6892425 0.73 CCKBR (0.78) CCKBR
SCHEMBL9083273 0.71 CCKBR (0.51) CCKBRMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed