SCHEMBL7446513

SCHEMBL7446513

Fc1ccc(C(c2ccc(F)cc2F)C2CCNCC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 4/20 0.45
DPP4 P27487 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTR1A P08908 1/20 0.38

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
Hydrochloric Acid SCHEMBL7446510 0.98 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3DPP4CES2
SCHEMBL15567223 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL15567225 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL16818228 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL16818355 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30323285 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30323010 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL16818259 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL15567106 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL27961707 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3DPP4CES2

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-5070087-A Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1991-12-03 US disclosed