SCHEMBL8949416

SCHEMBL8949416

CN(C(=O)c1cnc(-c2ccc(C(=N)N)cc2)nc1)C1CCC(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
TMPRSS15 P98073 2/20 0.39
EGLN1 Q9GZT9 2/20 0.39
SYK P43405 2/20 0.38
POLB P06746 1/20 0.38
NQO2 P16083 2/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
GABRA5 P31644 1/20 0.36
F10 P00742 2/20 0.36
F2 P00734 1/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
FASN P49327 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
SCHEMBL8949414 1.00 ITGB3 (0.39) ITGB3ITGA2BTMPRSS15EGLN1SYK
SCHEMBL9094547 0.88 USP30 (0.44) ITGB3ITGA2BNQO2PRSS1PRSS2
SCHEMBL8887118 0.88 USP30 (0.44) ITGB3ITGA2BNQO2PRSS1PRSS2
SCHEMBL8949356 0.88 TMPRSS15 (0.43) TMPRSS15EGLN1SYKPOLBPRSS1
SCHEMBL8949363 0.88 TMPRSS15 (0.43) TMPRSS15EGLN1SYKPOLBPRSS1
SCHEMBL8948974 0.85 GPR119 (0.38) ITGB3ITGA2BTMPRSS15EGLN1SYK
SCHEMBL8948981 0.85 GPR119 (0.38) ITGB3ITGA2BTMPRSS15EGLN1SYK
SCHEMBL8949150 0.84 POLB (0.40) TMPRSS15EGLN1SYKPOLBPRSS1
SCHEMBL8949156 0.84 POLB (0.40) TMPRSS15EGLN1SYKPOLBPRSS1
SCHEMBL8949178 0.82 POLB (0.36) ITGB3ITGA2BEGLN1SYKPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed