SCHEMBL9230337

SCHEMBL9230337

COc1ccccc1C(CCN(C)C)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.65
HRH1 P35367 5/20 0.65
CHRM2 P08172 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
SCN1A P35498 2/20 0.50
SCN2A Q99250 2/20 0.50
SCN3A Q9NY46 2/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
HTR7 P34969 1/20 0.45
CYP2D6 P10635 3/20 0.45
OPRM1 P35372 3/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
ADRA2A P08913 2/20 0.45
CHRM1 P11229 2/20 0.45
ADRA2B P18089 2/20 0.45

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
SCHEMBL9223145 0.87 HTR2A (0.47) HTR2AHRH1MEN1KMT2AIDO1
SCHEMBL8858816 0.84 CHRM2 (0.55) HTR2AHRH1CHRM2SLC6A4MEN1
SCHEMBL11291158 0.82 IDO1 (0.55) HTR2AHRH1SLC6A2SLC6A4MEN1
SCHEMBL6330054 0.81 MEN1 (0.51) SLC6A2SLC6A4MEN1KMT2AIDO1
Ammonia Solution, Strong SCHEMBL6001490 0.80 IDO1 (0.53) HTR2AHRH1SLC6A2SLC6A4MEN1
SCHEMBL9226280 0.80 MEN1 (0.44) HTR2AHRH1MEN1KMT2AIDO1
SCHEMBL1802493 0.80 HRH1 (1.00) HTR2AHRH1CHRM2SLC6A2SLC6A4
SCHEMBL6001484 0.79 HRH1 (0.59) HTR2AHRH1SLC6A2SLC6A4MEN1
SCHEMBL11387106 0.79 MEN1 (0.50) SLC6A2SLC6A4MEN1KMT2AIDO1
SCHEMBL4938883 0.79 MEN1 (0.50) SLC6A2SLC6A4MEN1KMT2AIDO1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382600-A 3,3-diphenylpropylamines and pharmaceutical compositions thereof PHARMACIA AKTIEBOLAG (SE) 1995-01-17 US disclosed
EP-0325571-B1 NEW AMINES, THEIR USE AND PREPARATION Kabi Pharmacia AB (SE) 1991-08-07 EP disclosed
EP-0354234-A1 NEW AMINES, THEIR USE AND PREPARATION KabiVitrum AB (SE) 1990-02-14 EP disclosed
WO-1989006644-A1 NEW AMINES, THEIR USE AND PREPARATION KABIVITRUM AB (SE) 1989-07-27 WO disclosed
EP-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 EP disclosed