SCHEMBL20095962

SCHEMBL20095962

CN(C)[C@@H]1CCCC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.49
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CNR2 P34972 7/20 0.43
PROKR1 Q8TCW9 1/20 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
SCHEMBL20095685 1.00 HTR2C (0.49) HTR2CHTR2AHTR2BHRH3CNR2
SCHEMBL20095682 1.00 HTR2C (0.49) HTR2CHTR2AHTR2BHRH3CNR2
SCHEMBL21311629 0.87 HTR1A (0.38) HTR2CHTR2AHTR2BHRH3CNR2
SCHEMBL2539686 0.82 HTR2C (0.68) HTR2CCNR2
SCHEMBL20095961 0.81 HTR2C (0.54) HTR2CHTR2AHTR2BHRH3
SCHEMBL21311815 0.81 SCN9A (0.36) HTR2CHTR2AHTR2BHRH3
SCHEMBL20095708 0.81 HTR2C (0.54) HTR2CHTR2AHTR2BHRH3
SCHEMBL20095707 0.81 HTR2C (0.54) HTR2CHTR2AHTR2BHRH3
SCHEMBL20096265 0.81 HTR2C (0.54) HTR2CHTR2AHTR2BHRH3
SCHEMBL20095686 0.81 HTR2C (0.54) HTR2CHTR2AHTR2BHRH3

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed