SCHEMBL9852059

SCHEMBL9852059

CN(C)c1ccc(CN2CCC(NC(=O)c3cc4ccccc4o3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.64
MAOB P27338 1/20 0.60
MCHR1 Q99705 5/20 0.59
RAB9A P51151 2/20 0.58
ACHE P22303 3/20 0.55
KMT2A Q03164 1/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DRD4 P21917 4/20 0.53
KCNH2 Q12809 2/20 0.53
DRD3 P35462 1/20 0.52
SLC6A12 P48065 1/20 0.52
SLC6A13 Q9NSD5 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) UTS2RMAOBMCHR1RAB9AACHE
SCHEMBL9727117 0.88 DRD4 (0.67) UTS2RMAOBMCHR1RAB9AACHE
SCHEMBL9727166 0.88 ACHE (0.66) UTS2RMAOBMCHR1RAB9AACHE
SCHEMBL9727091 0.86 DRD4 (0.70) UTS2RMAOBMCHR1RAB9AACHE
SCHEMBL9852055 0.85 MCHR1 (0.66) UTS2RMAOBMCHR1RAB9AACHE
SCHEMBL16927793 0.85 MAOB (0.63) UTS2RMAOBMCHR1RAB9AACHE
SCHEMBL9482251 0.83 MAOB (0.57) UTS2RMAOBMCHR1RAB9AACHE
SCHEMBL9727243 0.83 DRD4 (0.69) UTS2RMAOBMCHR1RAB9AACHE
SCHEMBL9727140 0.83 UTS2R (0.73) UTS2RMAOBMCHR1RAB9AACHE
SCHEMBL9852062 0.80 DRD4 (0.71) UTS2RMAOBMCHR1ACHEDRD4

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