SCHEMBL28504362

SCHEMBL28504362

Clc1ccc[c]c1OC1CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 1/20 0.34
SCD O00767 3/20 0.33
HTR1A P08908 1/20 0.31
EPHX2 P34913 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL623489 0.91 NPSR1 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL29256020 0.77
SCHEMBL15353222 0.74 HTR1A (0.30) SLC6A4SLC6A2HTR1A
SCHEMBL20836421 0.73 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3SCDHTR1A
SCHEMBL1965366 0.73
SCHEMBL164522 0.71
SCHEMBL2974066 0.71 L3MBTL1 (0.37)
SCHEMBL28716072 0.70 PDE4A (0.33) SLC6A2SLC6A3HTR1A
SCHEMBL16467697 0.70 MCHR1 (0.34) SLC6A2SLC6A3HTR1A
SCHEMBL2469196 0.68 PDE4A (0.40)

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
CN-108026067-B 6-amino-quinoline-3-carbonitriles as COT modulators 吉利德科学公司 2021-01-12 CN disclosed