SCHEMBL8949119

SCHEMBL8949119

Cn1cc(-c2ccc(C(=N)N)cc2)cc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 11/20 0.44
F2 P00734 10/20 0.44
PRSS1 P07477 6/20 0.44
PRSS2 P07478 6/20 0.44
PRSS3 P35030 6/20 0.44
PLG P00747 2/20 0.44
F10 P00742 3/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
BRD4 O60885 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
BMPR1B O00238 2/20 0.40
BMPR1A P36894 2/20 0.40
ACVRL1 P37023 2/20 0.40
ACVR1 Q04771 2/20 0.40
TGFBR1 P36897 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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 SCHEMBL8949185 0.89 F2 (0.44) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949148 0.82 CNR2 (0.46) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949277 0.82 CNR2 (0.46) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8407562 0.81 F2 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8863874 0.80 MEN1 (0.61) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9095484 0.80 MEN1 (0.61) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8410563 0.80 KDM1A (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949041 0.80 ST14 (0.46) ST14F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8407664 0.79 MEN1 (0.60) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949399 0.78 CNR2 (0.49) ST14F2PRSS1PRSS2PRSS3

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