SCHEMBL8948974

SCHEMBL8948974

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.38
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
EGLN1 Q9GZT9 2/20 0.35
FASN P49327 2/20 0.35
SYK P43405 2/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TMPRSS15 P98073 1/20 0.34
GABRA5 P31644 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL8948981 1.00 GPR119 (0.38) GPR119ITGB3ITGA2BEGLN1FASN
SCHEMBL8949356 0.89 TMPRSS15 (0.43) EGLN1FASNSYKPOLBHPGD
SCHEMBL8949363 0.89 TMPRSS15 (0.43) EGLN1FASNSYKPOLBHPGD
SCHEMBL8949414 0.85 ITGB3 (0.39) ITGB3ITGA2BEGLN1FASNSYK
SCHEMBL8949416 0.85 ITGB3 (0.39) ITGB3ITGA2BEGLN1FASNSYK
SCHEMBL8949156 0.84 POLB (0.40) GPR119EGLN1SYKPOLBHPGD
SCHEMBL8949150 0.84 POLB (0.40) GPR119EGLN1SYKPOLBHPGD
SCHEMBL8949176 0.83 POLB (0.36) ITGB3ITGA2BEGLN1FASNSYK
SCHEMBL8949178 0.83 POLB (0.36) ITGB3ITGA2BEGLN1FASNSYK
SCHEMBL8948982 0.79 EGLN1 (0.38) GPR119EGLN1FASNSYKPOLB

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