SCHEMBL9727126

SCHEMBL9727126

O=C(NC1CCN(CC2CCCCC2)CC1)c1cc2ccccc2o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.70
POLB P06746 1/20 0.55
CCR1 P32246 5/20 0.54
MAOB P27338 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
NPC1 O15118 5/20 0.53
KDM4E B2RXH2 1/20 0.52
NR1I2 O75469 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
AHR P35869 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
UTS2R Q9UKP6 1/20 0.51
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50

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 0.83 MAOB (0.74) RAB9AMAOBUTS2R
SCHEMBL9727166 0.80 ACHE (0.66) RAB9AMAOBNPC1SMN1; SMN2UTS2R
SCHEMBL9727117 0.80 DRD4 (0.67) RAB9AMAOBNPC1SMN1; SMN2UTS2R
SCHEMBL9727199 0.80 RAB9A (0.74) RAB9APOLBMAOBSLC6A2SLC6A4
SCHEMBL16927793 0.80 MAOB (0.63) RAB9AMAOBNPC1KDM4EALDH1A1
SCHEMBL9727243 0.79 DRD4 (0.69) RAB9AMAOBNPC1SMN1; SMN2UTS2R
SCHEMBL9852059 0.77 UTS2R (0.64) RAB9AMAOBNPC1SMN1; SMN2UTS2R
SCHEMBL9727091 0.77 DRD4 (0.70) RAB9AMAOBKDM4EALDH1A1HPGD
SCHEMBL9852055 0.76 MCHR1 (0.66) RAB9AMAOBNPC1SMN1; SMN2UTS2R
SCHEMBL9852142 0.76 CCR1 (0.54) RAB9ACCR1MAOBNPC1CHRM2

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