SCHEMBL7144487

SCHEMBL7144487

CC(N)C1(CC#Cc2ccc(Br)c(Cl)c2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 3/20 0.36

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
SCHEMBL7140351 0.80 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL7508322 0.79 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL7146417 0.69 PAX8 (0.31)
Hydrochloric Acid SCHEMBL7513716 0.68 PAX8 (0.30)
Hydrochloric Acid SCHEMBL7517092 0.68
SCHEMBL27510859 0.68 HRH3 (0.31)
Hydrochloric Acid SCHEMBL7513738 0.67 SCN9A (0.33) SLC6A4SLC6A3SLC6A2
SCHEMBL6139799 0.67 LMNA (0.60)
SCHEMBL7144485 0.66 ALDH1A1 (0.32) SLC6A3
SCHEMBL7144483 0.66 CHRM2 (0.33) SLC6A4

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-1192122-B1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US disclosed
EP-1192122-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-04-03 EP disclosed
WO-2000076953-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2000-12-21 WO disclosed