SCHEMBL8780247

SCHEMBL8780247

BrCCCCOc1cccc2sccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.38
HTR1B P28222 4/20 0.36
SLC6A4 P31645 2/20 0.36
VEGFA P15692 1/20 0.36
NCF1 P14598 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
HRH1 P35367 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
BAD Q92934 1/20 0.33
EPAS1 Q99814 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
SCHEMBL7692757 0.98 NCF1 (0.38) KCNA3HTR1BSLC6A4VEGFANCF1
SCHEMBL8780093 0.82 CNR2 (0.40) KCNA3HTR1BBCL2BCL2L1MCL1
SCHEMBL3797699 0.82 CYP1A2 (0.46) HTR1BSLC6A4HRH1
SCHEMBL3791996 0.80 CYP2A6 (0.45) HTR1BMEN1KMT2A
SCHEMBL8780105 0.77 TDP1 (0.63) MEN1KMT2AHTR2A
SCHEMBL7694129 0.77 NCF1 (0.37) KCNA3HTR1BSLC6A4NCF1MEN1
SCHEMBL827357 0.76 ALDH1A1 (0.45) MEN1KMT2ADRD2
SCHEMBL8780097 0.76 HRH3 (0.62) MEN1KMT2AHTR2A
SCHEMBL8780099 0.76 HRH3 (0.62) MEN1KMT2AHTR2A
SCHEMBL8780109 0.75 HRH3 (0.64) MEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662964-B1 HETEROCYCLIC AMINES HAVING CALMODULIN ANTAGONIST PROPERTIES BRITISH TECH GROUP (GB) 1997-06-11 EP disclosed
US-5543422-A HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS, FUNGICIDES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-08-06 US disclosed
EP-0662964-A1 HETEROCYCLIC AMINES HAVING COLMODULIN ANTAGONIST PROPERTIES. BRITISH TECH GROUP (GB) 1995-07-19 EP disclosed
WO-1994007875-A1 HETEROCYCLIC AMINES HAVING COLMODULIN ANTAGONIST PROPERTIES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-04-14 WO disclosed