SCHEMBL20095965

SCHEMBL20095965

CN(C)C1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.55
HTR7 P34969 2/20 0.55
HTR2C P28335 4/20 0.51
SLC6A4 P31645 6/20 0.43
BRD4 O60885 1/20 0.40
SOS1 Q07889 1/20 0.40
KDM1A O60341 1/20 0.39
HTR6 P50406 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL20095825 1.00 HTR1A (0.55) HTR1AHTR7HTR2CSLC6A4BRD4
SCHEMBL14431404 0.83 SLC6A4 (0.45) HTR1AHTR7SLC6A4
SCHEMBL13197437 0.83 HTR2C (0.54) HTR1AHTR7HTR2CBRD4SOS1
SCHEMBL14336850 0.80 SLC6A4 (0.53) HTR1AHTR7HTR2CSLC6A4HTR2A
SCHEMBL5200165 0.80 SLC6A4 (0.45) HTR1AHTR7SLC6A4
SCHEMBL20096104 0.78 HTR1A (0.55) HTR1AHTR7HTR2CSLC6A4BRD4
SCHEMBL18866771 0.78 HTR2C (0.51) HTR1AHTR7HTR2CSOS1KDM1A
SCHEMBL9945846 0.73 HTR1A (0.66) HTR1AHTR7HTR2CKDM1AHTR6
SCHEMBL20063387 0.72 HTR1A (0.41) HTR1AHTR7HTR2CKDM1AHTR2A
SCHEMBL9945840 0.71 HTR1A (1.00) HTR1AHTR7

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