SCHEMBL6139740

SCHEMBL6139740

CC(=O)c1ccc(C2CC(C)(C)CC(C)(C)C2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRND Q07001 1/20 0.42
HSD11B1 P28845 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
CREBBP Q92793 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
HSD17B1 P14061 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL6139522 0.83 SCN5A (0.42) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL6139787 0.80 HSD11B1 (0.39) HSD11B1MEN1KMT2A
SCHEMBL6139373 0.80 SCN9A (0.32) HSD11B1MEN1KMT2ASCN9A
SCHEMBL11802460 0.78 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL6139725 0.78 AVPR1A (0.33) HSD11B1
SCHEMBL11675275 0.77 ALDH1A1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL6139695 0.77 ALDH1A1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL4857893 0.77 CHRNA1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL6021775 0.76 KMT2A (0.39) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL6139569 0.74 L3MBTL1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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