SCHEMBL7314573

SCHEMBL7314573

CC(C(=O)O)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccc5ccccc45)cc3)C(=O)O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
CASR P41180 8/20 0.41
SIGMAR1 Q99720 5/20 0.40
HTR2B P41595 2/20 0.39
ALDH1A1 P00352 1/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 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
SCHEMBL6602794 0.92 ITGB3 (0.45) ITGB3ITGA2BCASRSIGMAR1HTR2B
SCHEMBL6600975 0.91 ITGB3 (0.43) ITGB3ITGA2BCASRSIGMAR1HTR2B
SCHEMBL6601613 0.91 ITGB3 (0.48) ITGB3ITGA2BCASRSIGMAR1F10
SCHEMBL6604378 0.91 ITGB3 (0.41) ITGB3ITGA2BCASRSIGMAR1HTR2B
SCHEMBL6600556 0.90 ITGB3 (0.42) ITGB3ITGA2BCASRSIGMAR1HTR2B
SCHEMBL7304098 0.90 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1HTR2BF10
SCHEMBL7314863 0.88 SIGMAR1 (0.42) ITGB3ITGA2BSIGMAR1HTR2BF10
SCHEMBL7314580 0.87 ALDH1A1 (0.47) ITGB3ITGA2BSIGMAR1ALDH1A1F10
SCHEMBL6600857 0.86 ITGB3 (0.47) ITGB3ITGA2BCASRSIGMAR1ALDH1A1
SCHEMBL7639803 0.86 ITGB3 (0.41) ITGB3ITGA2BCASRSIGMAR1PRSS1

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