SCHEMBL4659432

SCHEMBL4659432

C/C(=C/F)Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
MAOB P27338 8/20 0.45
TAAR1 Q96RJ0 4/20 0.44
HCAR2 Q8TDS4 1/20 0.43
MAOA P21397 2/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL3025521 0.80 TAAR1 (0.50) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL4659461 0.80 IDO1 (0.46) IDO1AGXTMAOBTAAR1HCAR2
SCHEMBL4660555 0.80 IDO1 (0.46) IDO1AGXTMAOBTAAR1HCAR2
SCHEMBL4660671 0.80 HTR3E (0.51) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL4661912 0.77 MAPT (0.38) GAA
SCHEMBL4660670 0.77 CTBP2 (0.54) IDO1AGXTMAOBTAAR1
SCHEMBL14884689 0.77 TAAR1 (0.47) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL28217427 0.77 TAAR1 (0.47) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL27791783 0.77 TAAR1 (0.52) IDO1AGXTMAOBTAAR1
SCHEMBL1426756 0.77 MAOB (0.51) IDO1AGXTMAOBTAAR1MAOA

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