SCHEMBL11534823

SCHEMBL11534823

CCC1(C)CC(OC(=O)c2ccccc2)C(C)C(C)(CC)N1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 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
SCHEMBL11533225 0.88 GAA (0.44) GAATSHRCHRM2CHRM4CHRM1
SCHEMBL11533230 0.88 GAA (0.44) GAATSHRCHRM2CHRM4CHRM1
SCHEMBL11531807 0.87 GAA (0.41) GAATSHRCHRM2CHRM4CHRM1
Benzil SCHEMBL15008957 0.86 CYP2D6 (0.37) GAATSHRKMT2A
SCHEMBL11534640 0.86 GAA (0.41) GAATSHRCHRM2CHRM4CHRM1
SCHEMBL11532899 0.86 GAA (0.41) GAATSHRCHRM2CHRM4CHRM1
SCHEMBL11533829 0.86 TSHR (0.44) GAATSHRCHRM2CHRM4CHRM1
SCHEMBL11530764 0.86 GAA (0.42) GAATSHRCHRM2CHRM4CHRM1
SCHEMBL11533372 0.84 SCN1A (0.43) GAATSHRCHRM2CHRM4CHRM1
SCHEMBL11532289 0.84 CYP3A4 (0.31)

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-4141883-A Stabilization of synthetic polymers by penta-or-hexa-substituted 4-piperidinol derivatives SANKYO COMPANY, LIMITED (JP) 1979-02-27 US disclosed
US-4075165-A 2,2,6,6-TETRA-SUBSTITUTED-4-PIPERIDINOL CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed