SCHEMBL8780102

SCHEMBL8780102

O=C(O)CCCCCCCOc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.69
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
KCNA3 P22001 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MCL1 Q07820 3/20 0.58
HTR1B P28222 4/20 0.57
TERT O14746 1/20 0.55
SLC6A4 P31645 2/20 0.55
HRH1 P35367 1/20 0.53
HRH3 Q9Y5N1 4/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.52

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
SCHEMBL8357769 1.00 CNR2 (0.69) CNR2KDM4EALDH1A1HPGDKCNA3
SCHEMBL20886144 1.00 CNR2 (0.69) CNR2KDM4EALDH1A1HPGDKCNA3
SCHEMBL4294120 1.00 CNR2 (0.69) CNR2KDM4EALDH1A1HPGDKCNA3
SCHEMBL29865545 1.00 CNR2 (0.69) CNR2KDM4EALDH1A1HPGDKCNA3
SCHEMBL29865585 1.00 CNR2 (0.69) CNR2KDM4EALDH1A1HPGDKCNA3
SCHEMBL29865967 0.98 CNR2 (0.71) CNR2KDM4EALDH1A1HPGDKCNA3
SCHEMBL20911356 0.98 CNR2 (0.71) CNR2KDM4EALDH1A1HPGDKCNA3
Anthracene SCHEMBL10362367 0.96 CNR2 (0.64) CNR2KDM4EALDH1A1HPGDKCNA3
Anthracene SCHEMBL10363531 0.96 CNR2 (0.64) CNR2KDM4EALDH1A1HPGDKCNA3
Anthracene SCHEMBL10361916 0.96 CNR2 (0.64) CNR2KDM4EALDH1A1HPGDKCNA3

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