SCHEMBL6842020

SCHEMBL6842020

CC(CN)c1cc(Cl)c(Cl)cc1C(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.53
TYR P14679 1/20 0.44
HTR2A P28223 2/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NOS2 P35228 1/20 0.38
AOC3 Q16853 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
IDO2 Q6ZQW0 2/20 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
SCHEMBL6841237 0.85 TAAR1 (0.55) TAAR1TYRHTR2ASLC6A4HTR2C
SCHEMBL6841424 0.78 SLC6A4 (0.57) TAAR1SLC6A4NISCHIDO1TDO2
Hydrochloric Acid SCHEMBL6836833 0.76 SLC6A4 (0.56) TAAR1SLC6A4NISCHIDO1TDO2
SCHEMBL6842021 0.75 SLC6A4 (0.47) TYRHTR2ASLC6A4
SCHEMBL6841273 0.75 TAAR1 (0.46) TAAR1HTR2ASLC6A4HTR2CHTR2B
SCHEMBL6841213 0.74 TAAR1 (0.46) TAAR1HTR2ASLC6A4HTR2CHTR2B
SCHEMBL9485194 0.73 TYR (0.57) TAAR1TYR
SCHEMBL1431673 0.72 NISCH (0.58) TAAR1HTR2ASLC6A4HTR2CHTR2B
SCHEMBL240503 0.71 TAAR1 (1.00) TAAR1HTR2AAOC3CHRNB2CHRNA4
SCHEMBL2107 0.71 TAAR1 (1.00) TAAR1HTR2AAOC3CHRNB2CHRNA4

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