SCHEMBL6841238

SCHEMBL6841238

CNC(C)c1cc(C)c(C)cc1C(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
HTR2A P28223 5/20 0.39
CYP2D6 P10635 3/20 0.39
TSHR P16473 2/20 0.39
CHRM2 P08172 2/20 0.39
ADRA1A P35348 2/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
ADRA2C P18825 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
GNAI1 P63096 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC6A4 P31645 5/20 0.38

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
SCHEMBL9064122 0.87 TYR (0.52) TYRCYP2D6TSHRADRA2CKMT2A
SCHEMBL6842021 0.84 SLC6A4 (0.47) TYRHTR2ACYP2D6TSHRCHRM2
SCHEMBL6837048 0.81 HTR2A (0.44) TYRHTR2ACYP2D6TSHRCHRM2
SCHEMBL6842018 0.81 HTR2A (0.44) TYRHTR2ACYP2D6TSHRCHRM2
SCHEMBL6842074 0.81 HTR2A (0.44) TYRHTR2ACYP2D6TSHRCHRM2
SCHEMBL6841275 0.81 HTR2A (0.44) TYRHTR2ACYP2D6TSHRCHRM2
SCHEMBL6841228 0.81 HTR2A (0.44) TYRHTR2ACYP2D6TSHRCHRM2
SCHEMBL9485194 0.76 TYR (0.57) TYRCYP2D6TSHRADRA2CKMT2A
SCHEMBL6841237 0.74 TAAR1 (0.55) TYRHTR2ATSHRSLC6A4KMT2A
SCHEMBL21533 0.71 CYP3A4 (0.54) HTR2ACYP2D6TSHRCHRM2ADRA1A

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-6759435-B1 SUCH AS METHYL-(1-(2-(1-PHENYL-ETHYL)-PHENYL)-ETHYL)-AMINE; SEROTONIN REUPTAKE INHIBITORS A.P. Group Inc. 2004-07-06 US claimed
US-6759435-B1 SUCH AS METHYL-(1-(2-(1-PHENYL-ETHYL)-PHENYL)-ETHYL)-AMINE; SEROTONIN REUPTAKE INHIBITORS A.P. Group Inc. 2004-07-06 US disclosed