SCHEMBL8949306

SCHEMBL8949306

CN(c1ccc(-c2ccc(C(=N)N)cc2)nn1)[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
F10 P00742 2/20 0.36
F2 P00734 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NQO2 P16083 3/20 0.36
TMPRSS15 P98073 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL8949315 1.00 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949354 0.87 ITGB3 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949052 0.86 ITGB3 (0.48) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949107 0.80 ITGB3 (0.41) ITGB3ITGA2BTMPRSS15GPR119
SCHEMBL8949064 0.77 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949055 0.77 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949075 0.76 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949083 0.76 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8887118 0.76 USP30 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL9094547 0.76 USP30 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3

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