SCHEMBL9879753

SCHEMBL9879753

NC(=O)C1=CC(c2cccc(C(F)(F)F)c2)C=CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
KDM1A O60341 2/20 0.38
CES2 O00748 1/20 0.38
AKT1 P31749 2/20 0.38
TRPM5 Q9NZQ8 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
GUSB P08236 1/20 0.37
RECQL P46063 1/20 0.36
PARP1 P09874 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL15540594 0.67 HTR2C (0.55) HTR2CHTR2AHTR2BKDM1ACES2
SCHEMBL5318529 0.65 KDM1A (0.43) HTR2CHTR2AHTR2BKDM1ARCOR1
Hydrochloric Acid SCHEMBL30882422 0.64 F2 (0.52) HTR2CHTR2AHTR2BKDM1ARCOR1
SCHEMBL171684 0.64 CES2 (0.71) CES2PARP1
SCHEMBL27621589 0.64 CES2 (0.71) CES2PARP1
SCHEMBL16892940 0.64 CES2 (0.55) CES2KIF11
SCHEMBL10601313 0.64 HTR2C (0.50) HTR2CHTR2AHTR2BKDM1ACES2
SCHEMBL30532337 0.63 HTR2C (0.53) HTR2CHTR2AHTR2BAKT1TRPM5
SCHEMBL21296542 0.63 HTR2C (0.54) HTR2CHTR2AHTR2BGUSB
Hydrochloric Acid SCHEMBL4372373 0.63 CES2 (0.69) CES2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059599-A Anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1991-10-22 US disclosed