SCHEMBL17655795

SCHEMBL17655795

CCCCCCC(C(=O)c1ccccc1)N1CCCC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 18/20 0.79
SLC6A2 P23975 15/20 0.79
SLC6A4 P31645 12/20 0.61
DRD3 P35462 1/20 0.57

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
.Alpha.-Pyrrolidinononanophenone SCHEMBL4936225 1.00 SLC6A3 (0.79) SLC6A3SLC6A2SLC6A4DRD3
SCHEMBL4931136 0.99 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4DRD3
Hydrochloric Acid SCHEMBL29398571 0.97 SLC6A3 (0.79) SLC6A3SLC6A2SLC6A4DRD3
SCHEMBL21271156 0.94 SLC6A3 (0.83) SLC6A3SLC6A2SLC6A4
SCHEMBL27098434 0.93 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4
SCHEMBL27098438 0.93 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4
SCHEMBL4936204 0.88 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30624700 0.87 SLC6A3 (0.97) SLC6A3SLC6A2SLC6A4
SCHEMBL17661659 0.86 SLC6A3 (0.80) SLC6A3SLC6A2SLC6A4
SCHEMBL27098435 0.83 SLC6A3 (0.69) SLC6A3SLC6A2SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002592-B1 IMPROVED IMMUNOASSAY FOR PYRROLIDINOPHENONES RANDOX LABORATORIES LTD (GB) 2018-02-21 EP disclosed
US-9671415-B2 Immunoassay for pyrrolidinophenones RANDOX LABORATORIES LIMITED (GB) 2017-06-06 US disclosed
US-9671415-B2 Immunoassay for pyrrolidinophenones RANDOX LABORATORIES LIMITED (GB) 2017-06-06 US disclosed
EP-3002592-A1 IMPROVED IMMUNOASSAY FOR PYRROLIDINOPHENONES Randox Laboratories Ltd. (GB) 2016-04-06 EP disclosed