SCHEMBL8949055

SCHEMBL8949055

CN(C(=O)c1cc(-c2ccc(C(=N)N)cc2)nnc1N)[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.38
ITGA2B P08514 10/20 0.38
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
F10 P00742 2/20 0.33
F2 P00734 1/20 0.33
VCP P55072 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NQO2 P16083 1/20 0.32
TMPRSS15 P98073 1/20 0.32
NEK2 P51955 1/20 0.32

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
SCHEMBL8949064 1.00 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949125 0.89 F2 (0.37) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949140 0.82 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949134 0.82 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8887118 0.80 USP30 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL9094547 0.80 USP30 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL9185327 0.79 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8886191 0.77 PDE4A (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949414 0.77 ITGB3 (0.39) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949416 0.77 ITGB3 (0.39) 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