SCHEMBL7314982

SCHEMBL7314982

CC(C(=O)O)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccnc4)cc3)C(=O)O2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
SIGMAR1 Q99720 5/20 0.39
F10 P00742 3/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
HTR2B P41595 1/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ACACB O00763 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6602426 0.92 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL7304098 0.92 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL6602220 0.91 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL6599780 0.91 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL6601611 0.90 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602674 0.90 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL7314991 0.86 ADRA2A (0.42) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL6600840 0.86 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1F10MAPK1
SCHEMBL7309830 0.86 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL7314863 0.86 SIGMAR1 (0.42) ITGB3ITGA2BSIGMAR1F10PRSS1

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