SCHEMBL6776672

SCHEMBL6776672

NN=CNc1cccc(C(=O)NCC(=O)NC(Cc2cccnc2)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 18/20 0.52
CMKLR2 P46091 1/20 0.52
CMKLR1 Q99788 1/20 0.52
FOLH1 Q04609 1/20 0.45

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
SCHEMBL7832742 0.91 GPR132 (0.45) GPR132CMKLR2CMKLR1FOLH1
SCHEMBL7835380 0.91 GPR132 (0.42) GPR132CMKLR2CMKLR1
SCHEMBL6775970 0.90 GPR132 (0.49) GPR132CMKLR2CMKLR1
SCHEMBL7835677 0.89 GPR132 (0.42) GPR132CMKLR2CMKLR1
SCHEMBL6779399 0.88 GPR132 (0.47) GPR132CMKLR2CMKLR1FOLH1
SCHEMBL7837213 0.88 CTSL (0.41) GPR132CMKLR2CMKLR1
SCHEMBL7834945 0.86 GPR132 (0.52) GPR132CMKLR2CMKLR1FOLH1
SCHEMBL6772224 0.86 CTSV (0.50) GPR132
SCHEMBL7838300 0.86 ITGB3 (0.51) GPR132
SCHEMBL7343445 0.86 GPR132 (0.52) GPR132CMKLR2CMKLR1

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 6 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
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed