SCHEMBL7937294

SCHEMBL7937294

COc1ccccc1C1=CCNC(CCC(C(=O)N2CCCCCC2)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
HTR1D P28221 1/20 0.52
HTR2B P41595 1/20 0.52
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
DPP7 Q9UHL4 1/20 0.39
HCRTR2 O43614 1/20 0.38
CHRM1 P11229 4/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL9278929 0.80 ALDH1A1 (0.39) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL7937291 0.75 HTR1A (0.62) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL9001189 0.74 HTR1A (0.50) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL6546383 0.69 HTR1A (1.00) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8065712 0.69 HTR1A (1.00) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL9001256 0.67 HTR1A (0.68) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL9004457 0.66 HTR1A (0.80) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8442654 0.66 HTR1A (0.80) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL10575998 0.66 HTR1A (0.52) HTR1AHTR1DHTR2BALDH1A1DPP7
SCHEMBL8761484 0.65 HTR1A (0.53) HTR1AHTR1DHTR2BALDH1A1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760665-B1 COMPOSITIONS CONTAINING 5HTIA AND 5HTID ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-12-12 EP claimed
US-5585374-A Amide derivatives JOHN WYETH BROTHER, LIMITED (GB) 1996-12-17 US claimed
EP-0760665-B1 COMPOSITIONS CONTAINING 5HTIA AND 5HTID ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-12-12 EP disclosed
EP-0760665-A1 COMPOSITION CONTAINING 5HT IA? and 5HT ID? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-03-12 EP disclosed
US-5585374-A Amide derivatives JOHN WYETH BROTHER, LIMITED (GB) 1996-12-17 US disclosed
WO-1995031988-A1 COMPOSITION CONTAINING 5HTIA and 5HTID ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-30 WO disclosed
EP-0664801-A1 AMIDE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-08-02 EP disclosed
WO-1994003444-A1 AMIDE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1994-02-17 WO disclosed