SCHEMBL8949147

SCHEMBL8949147

Cc1cc(C(=N)N)ccc1-c1cc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)c(=O)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.37
TMPRSS15 P98073 2/20 0.37
CNR2 P34972 6/20 0.37
F2 P00734 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
ST14 Q9Y5Y6 3/20 0.37
CNR1 P21554 2/20 0.37
F10 P00742 2/20 0.37
EGLN1 Q9GZT9 3/20 0.37
MAPK14 Q16539 1/20 0.36
PLG P00747 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HPGD P15428 1/20 0.35
KAT2B Q92831 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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 SCHEMBL8949314 0.91 F2 (0.36) PRSS1TMPRSS15CNR2F2PRSS2
SCHEMBL8949266 0.90 PRSS1 (0.43) PRSS1TMPRSS15CNR2F2PRSS2
SCHEMBL8949148 0.87 CNR2 (0.46) PRSS1CNR2F2PRSS2PRSS3
SCHEMBL8949277 0.87 CNR2 (0.46) PRSS1CNR2F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949113 0.81 TMPRSS15 (0.41) PRSS1TMPRSS15CNR2F2PRSS2
SCHEMBL8949131 0.78 CFTR (0.42) PRSS1TMPRSS15CNR2F2PRSS2
SCHEMBL8949034 0.78 CFTR (0.42) PRSS1TMPRSS15CNR2F2PRSS2
SCHEMBL8949399 0.76 CNR2 (0.49) PRSS1CNR2F2PRSS2PRSS3
SCHEMBL8949269 0.75 EGLN1 (0.47) CNR2CNR1EGLN1
Hydrochloric Acid SCHEMBL8949029 0.74 CNR2 (0.49) CNR2CNR1

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