SCHEMBL4660697

SCHEMBL4660697

COc1c(F)cc(C/C(C)=C\F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.38
TUBB1 Q9H4B7 4/20 0.37
ACACB O00763 1/20 0.35
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
CACNA1H O95180 3/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4660728 0.81 TRPA1 (0.39)
SCHEMBL1294669 0.78 MAOB (0.38) DBHTUBB1HTR2AHTR2CHTR2B
SCHEMBL1294728 0.78 MAOB (0.38) DBHTUBB1HTR2AHTR2CHTR2B
SCHEMBL1294674 0.78 MAOB (0.38) DBHTUBB1HTR2AHTR2CHTR2B
SCHEMBL7153647 0.78 CYP3A4 (0.43) DBHTUBB1ACACBCACNA1HCACNA1G
SCHEMBL28151235 0.76 TUBB1 (0.41) DBHTUBB1ACACBCACNA1HCACNA1G
SCHEMBL4659392 0.74 MAOA (0.44)
SCHEMBL2126253 0.74 THRB (0.46) DBHTUBB1
SCHEMBL14939021 0.73 TUBB1 (0.39) DBHTUBB1ACACB
SCHEMBL2126802 0.73 HSP90AB1 (0.56) DBHTUBB1ACACBCACNA1HCACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP claimed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO claimed