SCHEMBL7316137

SCHEMBL7316137

COC(=O)NC(=N)c1ccc(N2CC(CN3CCN(CC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.55
ITGA2B P08514 4/20 0.55
SIGMAR1 Q99720 15/20 0.48
GRM2 Q14416 1/20 0.46
F10 P00742 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
F2 P00734 1/20 0.41

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
SCHEMBL6602820 0.92 ITGB3 (0.59) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6535864 0.91 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL7309835 0.91 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2F10
Gantofiban SCHEMBL6600995 0.89 ITGB3 (0.70) ITGB3ITGA2BSIGMAR1GRM2F10
Gantofiban SCHEMBL6600994 0.89 ITGB3 (0.70) ITGB3ITGA2BSIGMAR1GRM2F10
Gantofiban SCHEMBL6602032 0.89 ITGB3 (0.70) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6605957 0.89 ITGB3 (0.56) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6600606 0.88 ITGB3 (0.55) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7309830 0.88 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL7304344 0.88 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2F10

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