SCHEMBL16684794

SCHEMBL16684794

O=C(O)c1cccc2c1C(CC(F)(F)F)CN2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ ALB P02768 1/20 0.32

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
SCHEMBL16684946 0.84 ALOX5 (0.37) KDM4EALOX5
SCHEMBL16685007 0.84 GAA (0.37) —
SCHEMBL16684943 0.80 HPGD (0.41) KDM4EHPGD
SCHEMBL21268576 0.73 ALDH1A1 (0.38) KDM4EHPGDALOX5
SCHEMBL16684950 0.67 DRD2 (0.41) KDM4EALOX5
SCHEMBL13325989 0.65 EGFR (0.35) —
SCHEMBL16004612 0.64 EGFR (0.37) —
Hydrochloric Acid SCHEMBL15321017 0.62 EGFR (0.37) —
SCHEMBL3964364 0.62 EGFR (0.47) —
SCHEMBL3958089 0.62 EGFR (0.47) —

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-3288946-B1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2019-08-21 — — EP disclosed
WO-2015066344-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2015-05-07 — — WO disclosed
Send feedback