SCHEMBL6783229

SCHEMBL6783229

CC(C)C(CC(=O)O)NC(=O)CNC(=O)c1cccc(NC=NN)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.48
ITGB1 P05556 8/20 0.48
ITGAV P06756 8/20 0.48
ITGA5 P08648 8/20 0.48
MDM2 Q00987 6/20 0.48
MDM4 O15151 4/20 0.48
GPR139 Q6DWJ6 11/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
ITGB8 P26012 1/20 0.42
ITGA8 P53708 1/20 0.42

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
SCHEMBL7835027 0.90 GPR139 (0.47) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7345743 0.89 GPR139 (0.41) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6780118 0.87 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6775451 0.86 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6783208 0.84 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7837007 0.84 GPR139 (0.41) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6782755 0.84 ITGB3 (0.51) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7339304 0.84 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6779680 0.83 GPR139 (0.45) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7338116 0.82 ITGB3 (0.50) ITGB3ITGB1ITGAVITGA5MDM2

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 4 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