SCHEMBL9852073

SCHEMBL9852073

CC(=O)Nc1ccc(CN2CCC(NC(=O)c3occ4ccccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.54
KCNH2 Q12809 1/20 0.54
MCHR1 Q99705 1/20 0.54
MAOB P27338 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
KMT2A Q03164 1/20 0.49
ROCK2 O75116 1/20 0.49
OPRM1 P35372 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL9727135 0.88 DRD4 (0.67) DRD4MCHR1MAOBSIGMAR1
SCHEMBL9727173 0.87 SIGMAR1 (0.57) DRD4MCHR1MAOBSIGMAR1
SCHEMBL9727123 0.87 DRD4 (0.69) DRD4MCHR1MAOBSIGMAR1
Dimethylamine SCHEMBL9852061 0.87 DRD4 (0.63) DRD4MCHR1MAOBKMT2ASIGMAR1
SCHEMBL9483648 0.87 DRD4 (0.52) DRD4MCHR1MAOBKMT2A
SCHEMBL9727095 0.86 DRD4 (0.72) DRD4MCHR1MAOBSIGMAR1ALDH1A1
SCHEMBL9727255 0.83 DRD4 (0.66) DRD4MAOBSIGMAR1
SCHEMBL9727149 0.82 DRD4 (0.58) DRD4MCHR1MAOBKMT2ASIGMAR1
SCHEMBL9852055 0.80 MCHR1 (0.66) DRD4KCNH2MCHR1MAOBDRD3
SCHEMBL9852082 0.79 DRD4 (0.73) DRD4KCNH2MCHR1MAOBSIGMAR1

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-0416581-A1 Substituted N-benzylpiperidine amides G.D. Searle & Co. (US) 1991-03-13 EP claimed