SCHEMBL7313131

SCHEMBL7313131

N=C(NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(N2CC(CN3CCN(CCC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
SIGMAR1 Q99720 6/20 0.42
HTR2B P41595 6/20 0.38
F10 P00742 4/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
GRM2 Q14416 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL6602790 0.92 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1HTR2BF10
SCHEMBL6600339 0.90 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1HTR2BF10
SCHEMBL6605091 0.90 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1HTR2BF10
SCHEMBL6601247 0.89 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1HTR2BF10
SCHEMBL6606277 0.89 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL7304103 0.88 SIGMAR1 (0.44) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL6601630 0.87 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1HTR2BF10
SCHEMBL7317590 0.87 SIGMAR1 (0.46) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL6603429 0.87 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL7309835 0.87 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1F10PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 US disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed