SCHEMBL7143016

SCHEMBL7143016

C=C(Cc1ccc(C23CC4CC(CC(C4)C2)C3)c(Cl)c1)N(CC)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL7144492 0.79 MEN1 (0.39) MEN1KMT2ATSHRL3MBTL1CYP2D6
SCHEMBL22032844 0.78 SIGMAR1 (0.48) MEN1KMT2ATSHRL3MBTL1CYP2D6
Hydrochloric Acid SCHEMBL18167506 0.77 SIGMAR1 (0.47) MEN1KMT2ATSHRL3MBTL1CYP2D6
SCHEMBL7144413 0.76 SIGMAR1 (0.39) MEN1KMT2ATSHRL3MBTL1CYP2D6
SCHEMBL7136147 0.76 MEN1 (0.37) MEN1KMT2ATSHRL3MBTL1CYP2D6
Hydrochloric Acid SCHEMBL7517078 0.75 SIGMAR1 (0.38) MEN1KMT2ATSHRL3MBTL1CYP2D6
Hydrochloric Acid SCHEMBL7511006 0.75 MEN1 (0.36) MEN1KMT2ATSHRL3MBTL1CYP2D6
SCHEMBL2638266 0.74 P2RX7 (0.34) L3MBTL1
SCHEMBL7143023 0.74 P2RX7 (0.32)
Hydrochloric Acid SCHEMBL7517660 0.71 L3MBTL1 (0.45) MEN1KMT2ATSHRL3MBTL1CYP2D6

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 claimed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US claimed
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