SCHEMBL22170657

SCHEMBL22170657

Cc1c(OC2CNC2)ccc(CF)c1O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR1A P08908 1/20 0.37

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
SCHEMBL22170409 0.83 SLC6A4 (0.35) SLC6A4
SCHEMBL22170495 0.72 SLC6A4 (0.37) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL13778020 0.71 SLC6A2 (0.54) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL22170463 0.66 SLC6A4 (0.35) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL22170687 0.66 SLC6A4 (0.35) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL326745 0.65 KMT2A (0.57) SLC6A4
SCHEMBL20176291 0.65 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL10244218 0.65 SLC6A4 (0.49) SLC6A2SLC6A3SLC6A4HTR1A
Hydrochloric Acid SCHEMBL1393852 0.64 SLC6A4 (0.48) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL23255234 0.64 SLC6A4 (0.51) SLC6A2SLC6A3SLC6A4HTR1A

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-2020138499-A1 ALKYL-SUBSTITUTED COMPOUND 大日本住友製薬株式会社 2020-07-02 WO disclosed