SCHEMBL20095988

SCHEMBL20095988

N[C@@H]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.55
HTR2A P28223 2/20 0.48
HTR2B P41595 2/20 0.48
DRD2 P14416 1/20 0.47
KDM1A O60341 6/20 0.44
RCOR1 Q9UKL0 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL21311688 1.00 HTR2C (0.55) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL21311601 1.00 HTR2C (0.55) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL29992351 0.85 HTR2C (0.58) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL2532290 0.85 HTR2C (0.72) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL16457233 0.82 HTR2C (0.72) HTR2CHTR2AHTR2BDRD2
SCHEMBL431853 0.81 HTR2C (0.50) HTR2CKDM1AMAOAMAOB
SCHEMBL15336102 0.81 HTR2C (0.66) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL20096265 0.81 HTR2C (0.54) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL20095708 0.81 HTR2C (0.54) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL20095961 0.81 HTR2C (0.54) HTR2CHTR2AHTR2BDRD2KDM1A

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
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed