SCHEMBL8949089

SCHEMBL8949089

CC(=O)N1CCN(c2nnc(-c3ccc(C(=N)N)cc3)cc2C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
PRSS1 P07477 5/20 0.37
PRSS2 P07478 5/20 0.37
PRSS3 P35030 5/20 0.37
ST14 Q9Y5Y6 4/20 0.37
F2 P00734 3/20 0.37
F10 P00742 2/20 0.37
BMPR1B O00238 2/20 0.37
BMPR1A P36894 2/20 0.37
ACVRL1 P37023 2/20 0.37
ACVR1 Q04771 2/20 0.37
PLG P00747 2/20 0.36
EIF4E P06730 1/20 0.36
SMO Q99835 1/20 0.36
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 0.35
TPSAB1 Q15661 1/20 0.35
HDAC4 P56524 1/20 0.35
TGFBR1 P36897 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 SCHEMBL8949151 0.91 TMPRSS15 (0.37) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949409 0.90 ITGB3 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949422 0.90 MEN1 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949406 0.88 MAPK14 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949300 0.88 ITGB3 (0.39) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949020 0.82 TMPRSS15 (0.39) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949012 0.81 MAPK13 (0.40) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949212 0.80 TMPRSS15 (0.40) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949417 0.80 MAPK14 (0.42) PRSS1PRSS2PRSS3ST14F2
SCHEMBL8949341 0.79 KLK7 (0.45) 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