SCHEMBL20095927

SCHEMBL20095927

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.38
DRD2 P14416 2/20 0.34
DRD1 P21728 1/20 0.34
HTR1A P08908 4/20 0.33
HTR7 P34969 4/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
CHRM3 P20309 1/20 0.31

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
SCHEMBL20810121 0.75 CCR2 (0.30)
SCHEMBL13660349 0.75 CCR2 (0.30)
SCHEMBL13985486 0.73 LMNA (0.41)
SCHEMBL12186297 0.72
SCHEMBL4325170 0.72 LMNA (0.44) SLC6A4DRD2DRD1SLC6A2SLC6A3
SCHEMBL30583131 0.72 LMNA (0.44) SLC6A4DRD2DRD1SLC6A2SLC6A3
SCHEMBL17181427 0.71
SCHEMBL24424915 0.71 SLC6A2 (0.41) SLC6A4DRD2SLC6A2SLC6A3DRD4
SCHEMBL16660719 0.71
SCHEMBL17306164 0.69 SLC6A4 (0.42) SLC6A4DRD2DRD1SLC6A2SLC6A3

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