SCHEMBL9230739

SCHEMBL9230739

COc1ccccc1-c1cccc(CCCCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.69
FFAR1 O14842 3/20 0.57
CASR P41180 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
HTR1A P08908 1/20 0.49
PTPN5 P54829 1/20 0.48

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
SCHEMBL22398944 0.89 HTR7 (0.71) HTR7FFAR1CASRDRD2DRD4
SCHEMBL10287112 0.88 HTR7 (0.66) HTR7FFAR1CASRDRD2DRD4
SCHEMBL12881923 0.86 HTR7 (0.71) HTR7FFAR1CASRDRD2DRD4
SCHEMBL9225987 0.85 CYP1A1 (0.65) HTR7FFAR1CASR
SCHEMBL9756294 0.85 HTR7 (0.52) HTR7FFAR1
SCHEMBL6721718 0.85 HTR7 (0.52) HTR7FFAR1
SCHEMBL9226730 0.84 HTR7 (0.51) HTR7FFAR1
SCHEMBL10512694 0.84 HTR7 (0.57) HTR7FFAR1CASRDRD2DRD4
SCHEMBL9229536 0.83 PTGER1 (0.60) HTR7FFAR1DRD2HTR1A
SCHEMBL3670702 0.82 FFAR1 (0.76) HTR7FFAR1

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 3 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-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 EP disclosed