SCHEMBL8894919

SCHEMBL8894919

CSC(=N)c1ccc(N2CC(C(=O)N3CCN(CC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.40
ITGA2B P08514 8/20 0.40
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
PRSS1 P07477 7/20 0.34
PRSS2 P07478 7/20 0.34
PRSS3 P35030 7/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ADRB1 P08588 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GRM2 Q14416 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
F10 P00742 4/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8892077 0.89 ITGB3 (0.43) ITGB3ITGA2BHPGDPRSS1PRSS2
SCHEMBL8893748 0.86 HPGD (0.44) ITGB3ITGA2BHPGDNPC1PRSS1
SCHEMBL8893028 0.86 ITGB3 (0.43) ITGB3ITGA2BHPGDTMEM97SIGMAR1
SCHEMBL8891141 0.85 ITGB3 (0.40) ITGB3ITGA2BHPGDNPC1TMEM97
SCHEMBL8891722 0.84 ITGB3 (0.36) ITGB3ITGA2BHPGDNPC1TMEM97
SCHEMBL8891751 0.83 FNTA (0.45) ITGB3ITGA2BHRH1GRM2
SCHEMBL7457368 0.81 ITGB3 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8894032 0.80 ITGB3 (0.45) ITGB3ITGA2BF10
SCHEMBL8892340 0.79 MEN1 (0.42) ITGB3ITGA2BSIGMAR1KDM4EMAPT
SCHEMBL8891713 0.77 KMT2A (0.32) ITGB3ITGA2BHPGDNPC1TMEM97

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
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed