SCHEMBL8949266

SCHEMBL8949266

Cn1nc(-c2ccc(C(=N)N)cc2F)cc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.43
TMPRSS15 P98073 7/20 0.43
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
MAPK14 Q16539 3/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
F2 P00734 3/20 0.36
ST14 Q9Y5Y6 3/20 0.36
F10 P00742 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PLG P00747 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
Hydrochloric Acid SCHEMBL8949113 0.91 TMPRSS15 (0.41) PRSS1TMPRSS15CNR1CNR2MAPK14
SCHEMBL8949147 0.90 PRSS1 (0.37) PRSS1TMPRSS15CNR1CNR2MAPK14
SCHEMBL8949277 0.86 CNR2 (0.46) PRSS1CNR1CNR2ITGB3ITGA2B
SCHEMBL8949148 0.86 CNR2 (0.46) PRSS1CNR1CNR2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949314 0.81 F2 (0.36) PRSS1TMPRSS15CNR2MAPK14F2
SCHEMBL8949034 0.78 CFTR (0.42) PRSS1TMPRSS15CNR1CNR2F2
SCHEMBL8949131 0.78 CFTR (0.42) PRSS1TMPRSS15CNR1CNR2F2
SCHEMBL8949399 0.75 CNR2 (0.49) PRSS1CNR1CNR2ITGB3ITGA2B
SCHEMBL8949269 0.74 EGLN1 (0.47) CNR1CNR2
Hydrochloric Acid SCHEMBL8949029 0.73 CNR2 (0.49) CNR1CNR2

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