SCHEMBL9852064

SCHEMBL9852064

COc1ccc(CN2CCC(NC(=O)c3cc4ccc(N)cc4o3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.66
KCNH2 Q12809 3/20 0.66
DRD4 P21917 2/20 0.64
ACHE P22303 2/20 0.62
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CCR3 P51677 1/20 0.60
SIGMAR1 Q99720 1/20 0.56
UTS2R Q9UKP6 1/20 0.55
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
PDK1 Q15118 1/20 0.53

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) MCHR1KCNH2DRD4ACHEKDM4E
SCHEMBL9852126 0.87 MCHR1 (0.60) MCHR1KCNH2DRD4ACHEKDM4E
SCHEMBL9727231 0.86 MCHR1 (0.64) MCHR1KCNH2DRD4ACHEKDM4E
SCHEMBL9852087 0.83 DRD4 (0.61) MCHR1KCNH2DRD4ACHECCR3
SCHEMBL9727416 0.83 DRD4 (0.60) MCHR1KCNH2DRD4ACHEKDM4E
SCHEMBL9727169 0.82 MCHR1 (0.59) MCHR1KCNH2DRD4ACHEKDM4E
SCHEMBL6333750 0.82 MCHR1 (0.86) MCHR1KCNH2ACHE
SCHEMBL9727182 0.82 DRD4 (0.64) MCHR1KCNH2DRD4ACHEKDM4E
SCHEMBL9727082 0.82 DRD4 (0.64) MCHR1KCNH2DRD4ACHEKDM4E
Iodide SCHEMBL9852252 0.81 DRD4 (0.59) MCHR1KCNH2DRD4ACHEKDM4E

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