SCHEMBL31437040

SCHEMBL31437040

Cc1ccccc1C(CCCCCCCCCCCCCCCCCCCN)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.47
HTR2A P28223 2/20 0.47
CYP19A1 P11511 2/20 0.43
MAOA P21397 1/20 0.39
ESR1 P03372 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SLC7A5 Q01650 2/20 0.36
KIF11 P52732 2/20 0.35
ACP3 P15309 1/20 0.35
CPB2 Q96IY4 1/20 0.35
TLR2 O60603 1/20 0.35
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5724928 0.92 HRH1 (0.55) HRH1HTR2ACYP19A1MAOAESR1
SCHEMBL6000442 0.84 HRH1 (0.52) HRH1HTR2ACYP19A1ESR1TAAR1
SCHEMBL15658273 0.81 CYP19A1 (0.43) HRH1HTR2ACYP19A1ESR1ACP3
SCHEMBL17529788 0.81 CYP19A1 (0.43) HRH1HTR2ACYP19A1ESR1ACP3
SCHEMBL15659652 0.81 CYP19A1 (0.43) HRH1HTR2ACYP19A1ESR1ACP3
SCHEMBL15656563 0.79 CYP19A1 (0.44) HRH1HTR2ACYP19A1ESR1ACP3
Dimethylamine SCHEMBL963016 0.79 CYSLTR2 (0.41) HRH1HTR2ACYP19A1ESR1
Dimethylamine SCHEMBL10776458 0.79 CYP19A1 (0.46) HRH1HTR2ACYP19A1ESR1ACP3
SCHEMBL5724894 0.79 CYP19A1 (0.46) HRH1HTR2ACYP19A1ESR1ACP3
SCHEMBL18888699 0.77 HRH1 (0.47) HRH1HTR2ACYP19A1ESR1KIF11

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
CN-116444881-B Polyethylene composition 旭化成株式会社 2025-05-02 CN disclosed