SCHEMBL6783591

SCHEMBL6783591

N#C/N=C(\N)Nc1cccc(C(=O)NCC(=O)NC(CC(=O)OCc2ccccc2)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 7/20 0.42
RAB9A P51151 1/20 0.40
ITGB3 P05106 4/20 0.39
ITGB1 P05556 4/20 0.39
ITGAV P06756 4/20 0.39
ITGA5 P08648 4/20 0.39
MDM4 O15151 2/20 0.39
GLA P06280 1/20 0.39
MDM2 Q00987 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
ITGB5 P18084 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGB8 P26012 1/20 0.38
ITGA8 P53708 1/20 0.38

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
SCHEMBL6783593 1.00 GPR139 (0.42) GPR139RAB9AITGB3ITGB1ITGAV
SCHEMBL7346020 0.88 ITGB3 (0.47) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL6776938 0.88 ITGB3 (0.47) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL6776945 0.88 ITGB3 (0.47) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL6783596 0.85 ACE (0.47) GPR139RAB9AITGB3ITGB1ITGAV
SCHEMBL7344514 0.83 ITGB3 (0.40) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL7344509 0.83 ITGB3 (0.40) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL6774132 0.81 GPR139 (0.44) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL6774128 0.81 GPR139 (0.44) GPR139ITGB3ITGB1ITGAVITGA5
SCHEMBL7836471 0.81 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM4

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
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
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 disclosed
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 disclosed