SCHEMBL31663067

SCHEMBL31663067

Cc1nc(CN2CCC(C#CC=O)CC2)nc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.37
OGA O60502 1/20 0.37
CHRM1 P11229 4/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
GRM2 Q14416 1/20 0.37
FAP Q12884 5/20 0.36
KCNH2 Q12809 2/20 0.36
POU2F2 P09086 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
POU2F1 P14859 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH2 P25021 1/20 0.36
MC4R P32245 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
GHSR Q92847 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL31662940 0.82 DPP4 (0.40) DPP4CHRM1DRD2DRD4DRD3
SCHEMBL31663327 0.78 CYP2C9 (0.41) OGA
SCHEMBL31663310 0.78 MAPT (0.43) DRD2DRD4DRD3GRM2
SCHEMBL31663115 0.76 OGA (0.36) DPP4OGACHRM1DRD2DRD4
SCHEMBL31662944 0.75 OGA (0.37) DPP4OGACHRM1FAP
SCHEMBL31663276 0.74 MGLL (0.36) DPP4OGACHRM1FAP
SCHEMBL31663181 0.74 OGA (0.36) DPP4OGAFAP
SCHEMBL31663271 0.70 DPP4 (0.41) DPP4CHRM1FAPKCNH2POU2F2
SCHEMBL31662619 0.69 ALDH1A1 (0.57) DPP4FAP
SCHEMBL31662766 0.68 TUBB4A (0.36) DPP4DRD2DRD4DRD3GRM2

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-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 WO disclosed