SCHEMBL21311690

SCHEMBL21311690

CNC1CCC[C@H](c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.51
DRD2 P14416 1/20 0.47
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL20096015 1.00 HTR2C (0.51) HTR2CDRD2HTR2AHTR2BLMNA
SCHEMBL20096133 1.00 HTR2C (0.51) HTR2CDRD2HTR2AHTR2BLMNA
SCHEMBL2532290 0.82 HTR2C (0.72) HTR2CDRD2HTR2AHTR2BKDM1A
SCHEMBL20095724 0.80 HTR2C (0.54) HTR2CDRD2HTR2AHTR2BKDM1A
SCHEMBL20095707 0.80 HTR2C (0.54) HTR2CDRD2HTR2AHTR2BKDM1A
SCHEMBL20095686 0.80 HTR2C (0.54) HTR2CDRD2HTR2AHTR2BKDM1A
SCHEMBL20095961 0.80 HTR2C (0.54) HTR2CDRD2HTR2AHTR2BKDM1A
SCHEMBL20096265 0.80 HTR2C (0.54) HTR2CDRD2HTR2AHTR2BKDM1A
SCHEMBL20095708 0.80 HTR2C (0.54) HTR2CDRD2HTR2AHTR2BKDM1A
SCHEMBL23639074 0.79 HTR2C (0.52) HTR2CDRD2HTR2AHTR2BKDM1A

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
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed