SCHEMBL7337671

SCHEMBL7337671

O=C(CNC(=O)c1cccc(NC(=O)Nc2ccccc2)c1)NC(Cc1cccnc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 11/20 0.54
CMKLR2 P46091 1/20 0.54
CMKLR1 Q99788 1/20 0.54
TSHR P16473 1/20 0.51
FOLH1 Q04609 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK14 Q16539 1/20 0.48
NAMPT P43490 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
EPHX2 P34913 1/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46

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
SCHEMBL6778227 0.94 TSHR (0.58) GPR132CMKLR2CMKLR1TSHRFOLH1
SCHEMBL7349960 0.93 GPR132 (0.53) GPR132CMKLR2CMKLR1TSHRFOLH1
SCHEMBL7834945 0.90 GPR132 (0.52) GPR132CMKLR2CMKLR1TSHRFOLH1
SCHEMBL7349051 0.90 GPR132 (0.55) GPR132CMKLR2CMKLR1TSHR
SCHEMBL7823711 0.90 GPR139 (0.51) GPR132CMKLR2CMKLR1TSHRALDH1A1
SCHEMBL7836171 0.90 TSHR (0.56) GPR132CMKLR2CMKLR1TSHRSMN1; SMN2
SCHEMBL7341632 0.90 TSHR (0.49) GPR132CMKLR2CMKLR1TSHRFOLH1
SCHEMBL7835626 0.89 TSHR (0.48) GPR132CMKLR2CMKLR1TSHRSMN1; SMN2
SCHEMBL7370870 0.89 SMN1; SMN2 (0.54) GPR132CMKLR2CMKLR1TSHRSMN1; SMN2
SCHEMBL7337289 0.89 GPR132 (0.50) GPR132CMKLR2CMKLR1TSHRFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed