SCHEMBL7146417

SCHEMBL7146417

CC(N)C1(CC#Cc2ccc(C3C4CC5CC(C4)CC3C5)cc2)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 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
Hydrochloric Acid SCHEMBL7513716 0.99 PAX8 (0.30) PAX8
Hydrochloric Acid SCHEMBL7517092 0.76
Hydrochloric Acid SCHEMBL7513738 0.72 SCN9A (0.33)
Hydrochloric Acid SCHEMBL7514186 0.72 SLC6A2 (0.30)
SCHEMBL7144487 0.69 SLC6A4 (0.36)
SCHEMBL7146409 0.68 PAX8 (0.35) PAX8
SCHEMBL7139136 0.67 POLB (0.30)
Hydrochloric Acid SCHEMBL7513708 0.67 PAX8 (0.35) PAX8
Hydrochloric Acid SCHEMBL7510456 0.67
SCHEMBL7140351 0.66 SLC6A4 (0.39)

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 3 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
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