SCHEMBL9852062

SCHEMBL9852062

COc1cccc(CN2CCC(NC(=O)c3cc4ccccc4o3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.71
MCHR1 Q99705 5/20 0.68
KCNH2 Q12809 1/20 0.68
ACHE P22303 2/20 0.66
SIGMAR1 Q99720 1/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
HTR1A P08908 1/20 0.60
DRD2 P14416 1/20 0.60
HTR2B P41595 1/20 0.60
POLB P06746 1/20 0.60
MAOB P27338 1/20 0.58
UTS2R Q9UKP6 1/20 0.58
CCR3 P51677 1/20 0.58

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
SCHEMBL9727091 0.90 DRD4 (0.70) DRD4MCHR1KCNH2ACHESIGMAR1
SCHEMBL9727131 0.87 MAOB (0.74) DRD4MCHR1KCNH2ACHEMAOB
SCHEMBL9852060 0.86 ACHE (0.60) DRD4MCHR1KCNH2ACHESIGMAR1
SCHEMBL6333249 0.84 MCHR1 (0.87) DRD4MCHR1KCNH2ACHEMAOB
SCHEMBL16356197 0.82 DRD4 (0.60) DRD4MCHR1KCNH2ACHESIGMAR1
SCHEMBL9727166 0.82 ACHE (0.66) DRD4MCHR1KCNH2ACHESIGMAR1
SCHEMBL9727117 0.82 DRD4 (0.67) DRD4MCHR1KCNH2ACHESIGMAR1
Iodide SCHEMBL9852252 0.82 DRD4 (0.59) DRD4MCHR1KCNH2ACHESIGMAR1
SCHEMBL9852082 0.81 DRD4 (0.73) DRD4MCHR1KCNH2ACHESIGMAR1
SCHEMBL9727140 0.81 UTS2R (0.73) DRD4MCHR1KCNH2ACHEKDM4E

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