SCHEMBL8949356

SCHEMBL8949356

COC(=O)[C@H]1CC[C@H](N(C)C(=O)c2cnc(-c3ccc(C(=N)N)cc3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 4/20 0.43
F2 P00734 4/20 0.41
F10 P00742 1/20 0.41
EGLN1 Q9GZT9 2/20 0.39
SYK P43405 2/20 0.39
FASN P49327 4/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
GABRA5 P31644 1/20 0.35
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ST14 Q9Y5Y6 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
SCHEMBL8949363 1.00 TMPRSS15 (0.43) TMPRSS15F2F10EGLN1SYK
SCHEMBL8948981 0.89 GPR119 (0.38) TMPRSS15EGLN1SYKFASNPOLB
SCHEMBL8948974 0.89 GPR119 (0.38) TMPRSS15EGLN1SYKFASNPOLB
SCHEMBL8949416 0.88 ITGB3 (0.39) TMPRSS15F2F10EGLN1SYK
SCHEMBL8949414 0.88 ITGB3 (0.39) TMPRSS15F2F10EGLN1SYK
Hydrochloric Acid SCHEMBL8887529 0.88 F2 (0.45) TMPRSS15F2F10SYKFASN
SCHEMBL8948982 0.88 EGLN1 (0.38) TMPRSS15EGLN1SYKFASNPOLB
SCHEMBL8949150 0.87 POLB (0.40) TMPRSS15F2EGLN1SYKPOLB
SCHEMBL8949156 0.87 POLB (0.40) TMPRSS15F2EGLN1SYKPOLB
SCHEMBL8949176 0.85 POLB (0.36) F2EGLN1SYKFASNPOLB

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