SCHEMBL7345153

SCHEMBL7345153

CCOC(=O)C(Cc1cccnc1)NC(=O)CNC(=O)c1cccc(NC(=O)NNc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
GPR132 Q9UNW8 10/20 0.45
CMKLR2 P46091 1/20 0.45
CMKLR1 Q99788 1/20 0.45
PPIA P62937 1/20 0.43
TP53 P04637 1/20 0.42
NAMPT P43490 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL7835626 0.93 TSHR (0.48) TSHRGPR132CMKLR2CMKLR1PPIA
SCHEMBL6779491 0.91 TSHR (0.55) TSHRNAMPTKMT2ASMN1; SMN2L3MBTL1
SCHEMBL7349960 0.90 GPR132 (0.53) TSHRGPR132CMKLR2CMKLR1CTSV
SCHEMBL7338811 0.89 GPR132 (0.46) TSHRGPR132CMKLR2CMKLR1TP53
SCHEMBL7836417 0.89 GPR139 (0.49) TSHRGPR132CMKLR2CMKLR1NAMPT
SCHEMBL7340855 0.88 TSHR (0.45) TSHRGPR132CMKLR2CMKLR1TP53
SCHEMBL7836894 0.87 NAMPT (0.59) TSHRNAMPTKMT2ASMN1; SMN2L3MBTL1
SCHEMBL7375033 0.86 SMN1; SMN2 (0.52) TSHRNAMPTKMT2ASMN1; SMN2L3MBTL1
SCHEMBL6773680 0.86 ALDH1A1 (0.44) TSHRGPR132CMKLR2CMKLR1KMT2A
SCHEMBL7340514 0.85 TSHR (0.52) TSHRNAMPTKMT2ASMN1; SMN2L3MBTL1

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