SCHEMBL13738693

SCHEMBL13738693

CC#CCN1c2c(n(C)c(=O)[nH]c2=O)N(Cc2nc(C)c3ccccc3n2)C1N1CCC[C@@H](Nc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.45
FAP Q12884 8/20 0.45
CHRM1 P11229 5/20 0.43
POU2F2 P09086 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
POU2F1 P14859 1/20 0.43
CHRM3 P20309 1/20 0.43
HRH2 P25021 1/20 0.43
MC4R P32245 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
GHSR Q92847 1/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL160189 0.89 DPP4 (0.53) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL15516850 0.89 DPP4 (0.53) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL16794573 0.78 DPP4 (0.46) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL15533174 0.78 DPP4 (0.53) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL23111991 0.77 DPP4 (0.49) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL15533200 0.72 DPP4 (0.42) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL15533388 0.70 DPP4 (0.47) DPP4
SCHEMBL15533861 0.68 DPP4 (0.43) DPP4KCNH2
SCHEMBL26022349 0.64 DPP4 (0.61) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL28346851 0.63 CYP2D6 (0.39) DPP4CHRM1KCNH2

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-2012145603-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-10-26 WO disclosed