SCHEMBL8949148

SCHEMBL8949148

Cn1nc(-c2ccc(C(=N)N)cc2)cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.46
CNR1 P21554 6/20 0.46
F2 P00734 6/20 0.41
ST14 Q9Y5Y6 6/20 0.41
PRSS1 P07477 4/20 0.41
PRSS2 P07478 4/20 0.41
PRSS3 P35030 4/20 0.41
F10 P00742 3/20 0.41
PLG P00747 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
KLK7 P49862 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL8949277 1.00 CNR2 (0.46) CNR2CNR1F2ST14PRSS1
SCHEMBL8949131 0.91 CFTR (0.42) CNR2CNR1F2ST14PRSS1
SCHEMBL8949034 0.91 CFTR (0.42) CNR2CNR1F2ST14PRSS1
SCHEMBL8949399 0.88 CNR2 (0.49) CNR2CNR1F2ST14PRSS1
SCHEMBL8949147 0.87 PRSS1 (0.37) CNR2CNR1F2ST14PRSS1
SCHEMBL8949266 0.86 PRSS1 (0.43) CNR2CNR1F2ST14PRSS1
SCHEMBL8949091 0.86 CNR1 (0.48) CNR2CNR1F2ST14PRSS1
SCHEMBL8949025 0.86 CNR2 (0.47) CNR2CNR1F2ST14PRSS1
Hydrochloric Acid SCHEMBL8949029 0.85 CNR2 (0.49) CNR2CNR1KLK7
SCHEMBL8949206 0.84 CNR2 (0.46) CNR2CNR1F2ST14PRSS1

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