SCHEMBL7314740

SCHEMBL7314740

CCOC(=O)CC(C(=O)OCC)N1CCN(CC2CN(c3ccc(C(=N)Nc4cccnc4)cc3)C(=O)O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
PRSS1 P07477 6/20 0.39
PRSS2 P07478 6/20 0.39
PRSS3 P35030 6/20 0.39
F10 P00742 5/20 0.38
SIGMAR1 Q99720 5/20 0.36
GRM2 Q14416 1/20 0.36
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7312359 0.95 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7304473 0.94 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7305481 0.86 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7317022 0.85 ITGB3 (0.40) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7316851 0.85 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7633348 0.85 ITGB3 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7306506 0.85 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7632371 0.84 ITGB3 (0.39) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7313985 0.84 ITGB3 (0.60) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27442654 0.82 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1KMT2ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed