SCHEMBL8949374

SCHEMBL8949374

COC(=O)CC1CCN(C(=O)c2cnc(-c3ccc(C(=N)N)cc3)nc2OC)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
ST14 Q9Y5Y6 3/20 0.45
F10 P00742 2/20 0.45
GSK3B P49841 1/20 0.43
HTR2B P41595 1/20 0.42
ITGB3 P05106 15/20 0.41
ITGA2B P08514 15/20 0.41
F2 P00734 1/20 0.39

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 SCHEMBL8949142 0.99 PRSS1 (0.44) PRSS1PRSS2PRSS3ST14F10
SCHEMBL8949309 0.92 ITGB3 (0.48) PRSS1PRSS2PRSS3ST14F10
SCHEMBL8949271 0.89 HTR2B (0.41) PRSS1PRSS2PRSS3ST14F10
Hydrochloric Acid SCHEMBL8949289 0.85 ITGB3 (0.45) PRSS1PRSS2PRSS3ST14F10
Hydrochloric Acid SCHEMBL8949069 0.83 ITGB3 (0.43) PRSS1PRSS2PRSS3ST14F10
SCHEMBL9186836 0.81 ITGB3 (0.51) PRSS1PRSS2PRSS3ST14F10
Hydrochloric Acid SCHEMBL8949011 0.80 ITGB3 (0.40) PRSS1PRSS2PRSS3ST14F10
Hydrochloric Acid SCHEMBL8949340 0.80 ITGB3 (0.40) PRSS1PRSS2PRSS3ST14F10
Hydrochloric Acid SCHEMBL8409916 0.80 ITGB3 (0.50) PRSS1PRSS2PRSS3ST14F10
Hydrochloric Acid SCHEMBL8949325 0.80 ITGB3 (0.45) PRSS1PRSS2PRSS3ST14F10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US claimed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP claimed
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