SCHEMBL5769217

SCHEMBL5769217

CC(COC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
PRKCA P17252 1/20 0.32
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ENPEP Q07075 2/20 0.31
BLM P54132 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL5569394 0.80 TSHR (0.45) PRKCAHTT
Trifluoroacetic Acid SCHEMBL28068720 0.79 TSHR (0.41) PRKCA
SCHEMBL22592233 0.78 PRKCA (0.38) PRKCAHTT
SCHEMBL13737582 0.78 MAPT (0.41) PRKCAHTT
SCHEMBL2551899 0.78 PRKCA (0.35) GABRR1CYP1A2PRKCAFOLH1NAALAD2
SCHEMBL14195308 0.78 HMGCR (0.35) GABRR1CYP1A2PRKCAFOLH1NAALAD2
SCHEMBL31648950 0.77 MAPT (0.32) FOLH1HTT
SCHEMBL783663 0.77 PRKCA (0.33) PRKCAHTT
SCHEMBL13730795 0.77 PGK1 (0.42) HTT
SCHEMBL4170335 0.77 PRKCA (0.33) PRKCAHTT

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-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP disclosed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed