SCHEMBL21393

SCHEMBL21393

CCCc1n[nH]c(C(F)(F)Cl)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.37
DPP4 P27487 2/20 0.32
HCAR3 P49019 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
PTPN1 P18031 1/20 0.30
PTPN11 Q06124 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL7470965 0.88 HCAR2 (0.39) HCAR2DPP4HCAR3DPP8DPP9
SCHEMBL28779338 0.79 HCAR2 (0.47) HCAR2DPP4HCAR3
SCHEMBL28351122 0.76 PDE4D (0.36) HCAR2
SCHEMBL9218944 0.73 HCAR2 (0.43) HCAR2DPP4HCAR3DPP8DPP9
SCHEMBL20911 0.73 HCAR2 (0.43) HCAR2HCAR3PTPN1PTPN11
SCHEMBL19329 0.72 HCAR2 (0.39) HCAR2DPP4HCAR3DPP8DPP9
SCHEMBL15165958 0.70
SCHEMBL28350977 0.69 HCAR2 (0.38) HCAR2
SCHEMBL17294915 0.67 HCAR2 (0.42) HCAR2HCAR3ALPL
SCHEMBL27737479 0.67 HCAR2 (0.46) HCAR2DPP4HCAR3

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
WO-2012025469-A1 IMPROVED PROCESS FOR THE PREPARATION OF ESTERS OF 1-H-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2012-03-01 WO disclosed