SCHEMBL6841573

SCHEMBL6841573

CC(CN)c1ccccc1C(C)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
TAAR1 Q96RJ0 4/20 0.46
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TYR P14679 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALOX5 P09917 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
ALOX5AP P20292 1/20 0.33
PYCR1 P32322 1/20 0.33

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
SCHEMBL6841273 0.83 TAAR1 (0.46) HTR2ATAAR1HTR2CHTR2BSLC6A2
SCHEMBL6842241 0.82 TAAR1 (0.46) HTR2ATAAR1HTR2CHTR2BTYR
SCHEMBL6843795 0.80 HTR2A (0.44) HTR2ATAAR1HTR2CHTR2BSLC6A2
SCHEMBL12378777 0.77 TAAR1 (0.60) HTR2ATAAR1ALOX5PYCR1MAOA
SCHEMBL175157 0.77 TAAR1 (0.60) HTR2ATAAR1ALOX5PYCR1MAOA
SCHEMBL20425554 0.77 TAAR1 (0.60) HTR2ATAAR1ALOX5PYCR1MAOA
SCHEMBL6841424 0.76 SLC6A4 (0.57) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6841427 0.75 TAAR1 (0.36) HTR2ATAAR1HTR2CHTR2BSLC6A4
Hydrochloric Acid SCHEMBL5877710 0.75 TAAR1 (0.58) HTR2ATAAR1ALOX5PYCR1MAOA
Hydrochloric Acid SCHEMBL5877704 0.75 TAAR1 (0.58) HTR2ATAAR1ALOX5PYCR1MAOA

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