SCHEMBL6855337

SCHEMBL6855337

OC(CN(Cc1ccccc1OC(F)(F)F)C1CCCC1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.61
SLC6A4 P31645 8/20 0.61
LMNA P02545 1/20 0.45
CETP P11597 6/20 0.43
SLC6A3 Q01959 4/20 0.40
SCN9A Q15858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 1/20 0.37
TACR1 P25103 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
SCHEMBL993065 0.99 SLC6A2 (0.60) SLC6A2SLC6A4LMNACETPSLC6A3
SCHEMBL6857797 0.95 SLC6A2 (0.64) SLC6A2SLC6A4LMNACETPSLC6A3
SCHEMBL993643 0.90 SLC6A2 (0.61) SLC6A2SLC6A4LMNACETPSLC6A3
SCHEMBL993969 0.89 SLC6A2 (0.51) SLC6A2SLC6A4LMNACETPSLC6A3
SCHEMBL995561 0.89 SLC6A2 (0.53) SLC6A2SLC6A4LMNACETPSLC6A3
SCHEMBL992716 0.85 SLC6A2 (0.54) SLC6A2SLC6A4LMNACETPSLC6A3
SCHEMBL992981 0.85 SLC6A2 (0.49) SLC6A2SLC6A4CETPSCN9A
SCHEMBL994091 0.81 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL992461 0.78 SLC6A2 (0.48) SLC6A2SLC6A4LMNASLC6A3NPSR1
SCHEMBL5892291 0.78 SLC6A2 (0.44) SLC6A2SLC6A4LMNACETPSCN9A

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
US-6787570-B2 ADMINISTERING AN AROMATIC OR HETEROAROMATIC SUBSTITUTED TERTIARYAMINE COMPOUND TO TREAT ATHEROSCLEROSIS, DYSLIPIDEMIA, AND OTHER CORONARY ARTERY DISEASES PFIZER, INC. 2004-09-07 US claimed