SCHEMBL7309830

SCHEMBL7309830

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
SIGMAR1 Q99720 16/20 0.46
GRM2 Q14416 1/20 0.44
HTR2B P41595 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 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
SCHEMBL6599464 0.93 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7317585 0.92 SIGMAR1 (0.47) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7304098 0.90 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL6602056 0.90 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6601261 0.90 ITGB3 (0.57) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL7319121 0.90 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7639333 0.89 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6600958 0.89 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6605992 0.88 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7313128 0.88 HTR2B (0.45) ITGB3ITGA2BSIGMAR1GRM2HTR2B

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