SCHEMBL16258141

SCHEMBL16258141

CC=CC[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.49
AAK1 Q2M2I8 5/20 0.42
DPP4 P27487 4/20 0.41
CTSS P25774 4/20 0.38
ATM Q13315 1/20 0.38
PTPN1 P18031 1/20 0.36
ACE P12821 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
TRPA1 O75762 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
SCHEMBL3139804 0.88 AAK1 (0.43) CTSKAAK1DPP4CTSSATM
SCHEMBL14550113 0.84 DPP4 (0.47) CTSKAAK1DPP4CTSSATM
SCHEMBL27800588 0.84 DPP4 (0.47) CTSKAAK1DPP4CTSSATM
SCHEMBL27800590 0.84 DPP4 (0.47) CTSKAAK1DPP4CTSSATM
SCHEMBL18133088 0.81 DPP4 (0.43) CTSKAAK1DPP4CTSSATM
SCHEMBL3138157 0.81 DPP4 (0.43) CTSKAAK1DPP4CTSSATM
SCHEMBL344600 0.81 DPP4 (0.43) CTSKAAK1DPP4CTSSATM
SCHEMBL19500634 0.81 DPP4 (0.43) CTSKAAK1DPP4CTSSATM
SCHEMBL342708 0.81 DPP4 (0.43) CTSKAAK1DPP4CTSSATM
SCHEMBL29364846 0.81 DPP4 (0.43) CTSKAAK1DPP4CTSSATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230241-B1 TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES, PREPARATION METHODS AND MEDICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-11-26 EP disclosed