SCHEMBL7144485

SCHEMBL7144485

NCC(CC#Cc1ccc(Br)c(Cl)c1)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL7140348 0.80 ALDH1A1 (0.34) ALDH1A1SLC6A3
SCHEMBL7135839 0.79 SCN9A (0.33)
Hydrochloric Acid SCHEMBL7508318 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7146414 0.70 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL7513712 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7144483 0.68 CHRM2 (0.33)
SCHEMBL7144481 0.68 SIGMAR1 (0.38) ALDH1A1
Hydrochloric Acid SCHEMBL7513729 0.68 SCN9A (0.32)
Hydrochloric Acid SCHEMBL7517091 0.68
SCHEMBL6139799 0.67 LMNA (0.60) ALDH1A1

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