SCHEMBL7833170

SCHEMBL7833170

CCOC(=O)CC(NC(=O)CNC(=O)c1cc(NC(=N)N)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.43
ITGB1 P05556 6/20 0.43
ITGAV P06756 6/20 0.43
ITGA5 P08648 6/20 0.43
ITGB5 P18084 6/20 0.43
ITGB6 P18564 6/20 0.43
ITGB8 P26012 6/20 0.43
ITGA8 P53708 6/20 0.43
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
GPR139 Q6DWJ6 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CCR2 P41597 2/20 0.36
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
F7 P08709 1/20 0.35
TACR1 P25103 2/20 0.35

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
SCHEMBL7838264 0.91 ITGB3 (0.51) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL6778978 0.87 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7346866 0.84 GPR139 (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL16918573 0.82 ITGB3 (0.39) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7823466 0.82 GPR139 (0.40) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7339440 0.81 GPR139 (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL6777228 0.81 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL6773907 0.81 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7341726 0.79 GPR139 (0.42) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL16918488 0.78 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5ITGB5

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-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