SCHEMBL7319121

SCHEMBL7319121

CC(C(=O)O)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)C(=O)O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
SIGMAR1 Q99720 7/20 0.43
HTR2B P41595 2/20 0.40
MASP2 O00187 2/20 0.38
GRM2 Q14416 2/20 0.38
VCP P55072 1/20 0.38
PRSS1 P07477 5/20 0.38
PRSS2 P07478 5/20 0.38
PRSS3 P35030 5/20 0.38
F10 P00742 4/20 0.38
F2 P00734 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
SCHEMBL6602124 0.95 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1HTR2BMASP2
SCHEMBL6601097 0.94 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1HTR2BMASP2
SCHEMBL6600123 0.93 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1HTR2BMASP2
SCHEMBL6601237 0.93 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1HTR2BMASP2
SCHEMBL6605992 0.92 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL6601339 0.92 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1HTR2BMASP2
SCHEMBL7309830 0.90 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL6601800 0.90 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL7317585 0.90 SIGMAR1 (0.47) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL6603052 0.89 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1HTR2BGRM2

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