SCHEMBL11110171

SCHEMBL11110171

O=C(CC[N+]1(c2ccccc2)CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.74
SLC6A3 Q01959 10/20 0.74
SLC6A2 P23975 1/20 0.53

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
SCHEMBL7721328 0.85 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL11077830 0.84 SLC6A4 (0.98) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL11068578 0.82 SLC6A4 (0.85) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL10638308 0.80 SLC6A4 (0.98) SLC6A4SLC6A3SLC6A2
SCHEMBL10638396 0.80 SLC6A4 (0.88) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10635558 0.79 SLC6A4 (0.86) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10638536 0.77 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2
SCHEMBL11640206 0.76 SLC6A4 (0.78) SLC6A4SLC6A3SLC6A2
Mobenzoxamine SCHEMBL2111666 0.74 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2
SCHEMBL9429684 0.71 SLC6A4 (0.70) SLC6A4SLC6A3

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
EP-0099148-A1 Piperazine derivatives, processes for their preparation and pharmaceutical preparations containing them GIST-BROCADES N.V. (NL) 1984-01-25 EP disclosed