SCHEMBL9852055

SCHEMBL9852055

CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cc4ccccc4o3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.66
KCNH2 Q12809 4/20 0.66
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
TP53 P04637 2/20 0.64
MAPK1 P28482 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAOB P27338 1/20 0.59
UTS2R Q9UKP6 1/20 0.59
MCHR2 Q969V1 1/20 0.56
MAPT P10636 1/20 0.54
ACHE P22303 3/20 0.54
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL9727131 0.88 MAOB (0.74) MCHR1KCNH2RAB9AMAOBUTS2R
SCHEMBL9727166 0.87 ACHE (0.66) MCHR1KCNH2NPC1RAB9ATP53
SCHEMBL9727117 0.87 DRD4 (0.67) MCHR1KCNH2NPC1RAB9ATP53
SCHEMBL9482251 0.87 MAOB (0.57) MCHR1KCNH2NPC1RAB9ATP53
SCHEMBL9727091 0.85 DRD4 (0.70) MCHR1KCNH2RAB9AMAOBUTS2R
SCHEMBL9852059 0.85 UTS2R (0.64) MCHR1KCNH2NPC1RAB9ATP53
SCHEMBL16927793 0.84 MAOB (0.63) MCHR1KCNH2NPC1RAB9ATP53
SCHEMBL9727243 0.82 DRD4 (0.69) MCHR1KCNH2NPC1RAB9ATP53
SCHEMBL9727140 0.82 UTS2R (0.73) MCHR1KCNH2RAB9AMAOBUTS2R
SCHEMBL9852062 0.80 DRD4 (0.71) MCHR1KCNH2MAOBUTS2RACHE

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