SCHEMBL11223271

SCHEMBL11223271

C1=C(CCc2ccncc2)c2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
CYP19A1 P11511 6/20 0.43
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
ABCB1 P08183 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP11B2 P19099 1/20 0.35
KCNQ2 O43526 1/20 0.35

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
SCHEMBL28220073 0.86 HTR6 (0.53) HTR6LOXL2TDP1ALOX15
SCHEMBL2338975 0.84 HTR6 (0.56) HTR6
SCHEMBL31121639 0.84 HTR6 (0.56) HTR6
SCHEMBL3874874 0.76 HTR6 (0.53) HTR6
SCHEMBL3868123 0.76 HTR6 (0.53) HTR6
SCHEMBL4313805 0.75 HRH1 (0.44) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL8952468 0.73 HTR6 (0.54) HTR6TDP1TSHR
SCHEMBL1822774 0.73 HTR6 (0.50) HTR6TDP1
SCHEMBL31547775 0.73 HTR6 (0.59) HTR6LOXL2
SCHEMBL3862943 0.73 HTR6 (0.59) HTR6LOXL2

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
US-4357337-A PIPERIDINYLALKYL DERIVATIVES PHARMINDUSTRIE (FR) 1982-11-02 US disclosed