SCHEMBL7304103

SCHEMBL7304103

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.44
ITGB3 P05106 8/20 0.43
ITGA2B P08514 8/20 0.43
F10 P00742 6/20 0.42
PRSS1 P07477 6/20 0.42
PRSS2 P07478 6/20 0.42
PRSS3 P35030 6/20 0.42
GRM2 Q14416 2/20 0.39
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
SCHEMBL7314871 0.92 HTR1A (0.44) SIGMAR1ITGB3ITGA2BF10
SCHEMBL7314991 0.92 ADRA2A (0.42) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL6600250 0.91 ITGB3 (0.48) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL7313240 0.91 ITGB3 (0.48) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL7304344 0.91 ITGB3 (0.48) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL7314580 0.89 ALDH1A1 (0.47) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL6601675 0.89 ITGB3 (0.54) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL6603444 0.89 ITGB3 (0.54) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL6600851 0.89 ITGB3 (0.54) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL7317590 0.89 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BF10PRSS1

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