SCHEMBL6783164

SCHEMBL6783164

NN=CNc1ccc(Cl)c(C(=O)NCC(=O)NC(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.49
ITGB3 P05106 8/20 0.47
ITGA2B P08514 4/20 0.47
ITGAV P06756 4/20 0.41
CTSA P10619 2/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ITGB1 P05556 3/20 0.39
ITGA5 P08648 3/20 0.39
MDM4 O15151 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MDM2 Q00987 2/20 0.39
SLC6A9 P48067 2/20 0.39
SLC6A5 Q9Y345 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
SCHEMBL6783154 0.85 ITGB3 (0.52) GPR139ITGB3ITGA2BITGAVCTSA
SCHEMBL6782755 0.84 ITGB3 (0.51) GPR139ITGB3ITGA2BITGAVMEN1
SCHEMBL6779369 0.84 ITGB3 (0.39) GPR139ITGB3ITGA2BITGAVITGB1
SCHEMBL7339653 0.81 GPR139 (0.46) GPR139ITGB3ITGAVMEN1KMT2A
SCHEMBL7341209 0.80 GPR139 (0.52) GPR139ITGB3ITGAVCTSAMEN1
SCHEMBL7833841 0.80 ITGB3 (0.49) GPR139ITGB3ITGA2BITGAVCTSA
SCHEMBL6778582 0.79 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5MDM4
SCHEMBL612700 0.79 ITGB3 (0.49) GPR139ITGB3ITGAVMEN1KMT2A
SCHEMBL6778594 0.79 ITGB3 (0.48) GPR139ITGB3ITGA2BITGAVMEN1
SCHEMBL27485519 0.78 ITGB3 (0.43) ITGB3ITGA2BITGAVITGB1ITGA5

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