SCHEMBL9856667

SCHEMBL9856667

CN(C)CCC(Cc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
HRH1 P35367 3/20 0.51
SLC6A9 P48067 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP19A1 P11511 2/20 0.42
UBE2N P61088 1/20 0.41
CHRM2 P08172 2/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
CHRM1 P11229 2/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL9856676 0.86 HTR2A (0.53) HTR2AHRH1SLC6A9SLC6A4SLC6A2
SCHEMBL9857262 0.84 HTR2A (0.51) HTR2AHRH1SLC6A9SLC6A4SLC6A2
SCHEMBL9856457 0.84 HTR2A (0.51) HTR2AHRH1SLC6A9SLC6A4SLC6A2
SCHEMBL9857350 0.84 SLC6A9 (0.67) HTR2AHRH1SLC6A9SLC6A4OPRK1
SCHEMBL9857304 0.84 TAAR1 (0.50) HTR2AHRH1SLC6A9TAAR1SLC6A4
SCHEMBL9857080 0.83 HTR2A (0.50) HTR2AHRH1SLC6A9TAAR1SLC6A4
SCHEMBL9857039 0.82 ALDH1A1 (0.61) HTR2AHRH1SLC6A9TDP1SLC6A4
SCHEMBL9857059 0.81 HTR2A (0.47) HTR2AHRH1SLC6A9SLC6A4SLC6A2
SCHEMBL9857068 0.80 SLC6A4 (0.47) HTR2AHRH1SLC6A9SLC6A4CHRM1
SCHEMBL9856994 0.80 MEN1 (0.48) HTR2AHRH1SLC6A9SLC6A4ALDH1A1

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-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed