SCHEMBL20176291

SCHEMBL20176291

Cc1ccc(OC2CNC2)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
HTR1A P08908 2/20 0.47

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
SCHEMBL16923207 0.82 MCHR1 (0.40) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL16923010 0.82 MCHR1 (0.40) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL2300405 0.81 SLC6A4 (0.71) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL16922991 0.78 MCHR1 (0.38) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL14957502 0.77 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL10244218 0.74 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL23255234 0.74 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL1393852 0.73 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL20176345 0.73 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL6968249 0.72 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3HTR1A

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-2018091687-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-05-24 WO disclosed