SCHEMBL10188147

SCHEMBL10188147

CCCOc1ccc(N2CCC(c3ccc(CNC(C)=O)cc3)CC2)c(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.55
MAPT P10636 2/20 0.42
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL9932038 0.85 ACACB (0.76) ACACB
SCHEMBL9932036 0.85 ACACB (0.76) ACACB
SCHEMBL9966757 0.72 ACACB (0.70) ACACB
SCHEMBL17207059 0.71 ACACB (1.00) ACACB
SCHEMBL15849128 0.70 ACACB (0.78) ACACB
SCHEMBL14990649 0.70 ACACB (0.63) ACACB
SCHEMBL17366318 0.69 ACACB (0.59) ACACBHTR2A
SCHEMBL15048248 0.68 ACACB (1.00) ACACB
SCHEMBL469040 0.67 HTR2C (0.58) MAPT
SCHEMBL15053270 0.66 ACACB (0.81) ACACB

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
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed