SCHEMBL9727131

SCHEMBL9727131

O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.74
RAB9A P51151 1/20 0.67
ACHE P22303 3/20 0.66
KCNH2 Q12809 1/20 0.65
MCHR1 Q99705 1/20 0.65
DRD3 P35462 1/20 0.65
DRD4 P21917 2/20 0.65
SLC6A12 P48065 1/20 0.65
SLC6A13 Q9NSD5 1/20 0.65
UTS2R Q9UKP6 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL9727117 0.92 DRD4 (0.67) MAOBRAB9AACHEKCNH2MCHR1
SCHEMBL9727166 0.92 ACHE (0.66) MAOBRAB9AACHEKCNH2MCHR1
SCHEMBL16927793 0.91 MAOB (0.63) MAOBRAB9AACHEKCNH2MCHR1
SCHEMBL14096071 0.90 NPC1 (0.64) MAOBRAB9AACHEKCNH2MCHR1
SCHEMBL650728 0.89 ACHE (0.76) MAOBACHEKCNH2MCHR1DRD4
SCHEMBL9852059 0.88 UTS2R (0.64) MAOBRAB9AACHEKCNH2MCHR1
SCHEMBL9727091 0.88 DRD4 (0.70) MAOBRAB9AACHEKCNH2MCHR1
SCHEMBL9727243 0.88 DRD4 (0.69) MAOBRAB9AACHEKCNH2MCHR1
SCHEMBL9852055 0.88 MCHR1 (0.66) MAOBRAB9AACHEKCNH2MCHR1
SCHEMBL9852062 0.87 DRD4 (0.71) MAOBACHEKCNH2MCHR1DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098915-A Antiarrhythmia agents G. D. SEARLE & CO. (US) 1992-03-24 US claimed
EP-0416581-A1 Substituted N-benzylpiperidine amides G.D. Searle & Co. (US) 1991-03-13 EP claimed