SCHEMBL7313128

SCHEMBL7313128

CC(C(=O)O)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)C(c4ccccc4)c4ccccc4)cc3)C(=O)O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.45
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
SIGMAR1 Q99720 7/20 0.42
GRM2 Q14416 3/20 0.38
F10 P00742 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL6602785 0.93 ITGB3 (0.49) HTR2BITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6600337 0.91 ITGB3 (0.51) HTR2BITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6605089 0.91 ITGB3 (0.46) HTR2BITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601245 0.90 ITGB3 (0.45) HTR2BITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6606273 0.90 ITGB3 (0.45) HTR2BITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7304098 0.89 ITGB3 (0.45) HTR2BITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7309830 0.88 ITGB3 (0.51) HTR2BITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7317585 0.88 SIGMAR1 (0.47) HTR2BITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601630 0.88 ITGB3 (0.53) HTR2BITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6600759 0.87 ITGB3 (0.49) HTR2BITGB3ITGA2BSIGMAR1GRM2

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