SCHEMBL6139375

SCHEMBL6139375

CC1(C)CC(c2ccc(C(Cl)=CC=O)cc2Cl)CC(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6139373 1.00 SCN9A (0.32) SCN9AHSD11B1MEN1KMT2A
SCHEMBL6139740 0.80 CHRNA1 (0.42) SCN9AHSD11B1MEN1KMT2A
SCHEMBL8470077 0.79 CEL (0.38)
SCHEMBL8470079 0.79 CEL (0.38)
SCHEMBL6139794 0.67 GABRA1 (0.31)
SCHEMBL3187330 0.67 CYP11B2 (0.40) HSD11B1
SCHEMBL6139529 0.67 MAPT (0.44) MEN1KMT2A
SCHEMBL6139531 0.67 MAPT (0.44) MEN1KMT2A
SCHEMBL6139522 0.65 SCN5A (0.42) SCN9A
SCHEMBL6139725 0.64 AVPR1A (0.33) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196403-B1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
US-6908914-B1 Antipsychotic cyclic N-aralkylamines SANOFI-SYNTHELABO (FR) 2005-06-21 US disclosed
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-1196403-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES Sanofi-Aventis (FR) 2002-04-17 EP disclosed
EP-1192122-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-04-03 EP disclosed
WO-2001002380-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI-SYNTHELABO (FR) 2001-01-11 WO disclosed
WO-2000076953-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2000-12-21 WO disclosed