SCHEMBL9837074

SCHEMBL9837074

O=C(O)C1CCCN(CCOC(c2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.51

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
SCHEMBL9836368 0.96 SLC6A1 (0.53) SLC6A1
SCHEMBL9714856 0.88 CYP3A4 (0.59) SLC6A1
SCHEMBL9837079 0.85 KDM4E (0.44)
SCHEMBL9835567 0.85 SLC6A1 (0.50) SLC6A1
SCHEMBL9835308 0.84 SLC6A1 (0.63) SLC6A1
SCHEMBL9836372 0.82 SLC6A4 (0.50)
SCHEMBL9834615 0.80 SLC6A1 (0.59) SLC6A1
SCHEMBL9835834 0.78 GAA (0.61)
SCHEMBL9836005 0.77 SLC6A1 (0.58) SLC6A1
SCHEMBL7925394 0.76 SLC6A12 (0.57) SLC6A1

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-0221572-B1 N-SUBSTITUTED 3-PIPERIDINE-OR 3-PYRIDINE-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1991-09-25 EP claimed