SCHEMBL7144483

SCHEMBL7144483

Clc1cc(C#CCNCCC2CCCCC2)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
OPRL1 P41146 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
KDM1A O60341 4/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
BCHE P06276 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 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
SCHEMBL7140343 0.80 CHRM2 (0.37) CHRM2CHRM1CHRM3OPRL1MEN1
Hydrochloric Acid SCHEMBL7508314 0.79 CHRM2 (0.37) CHRM2CHRM1CHRM3OPRL1MEN1
Hydrochloric Acid SCHEMBL7517936 0.78 SCN9A (0.37) OPRL1KDM1AMAOAMAOB
SCHEMBL7451393 0.77 CHRM2 (0.30) CHRM2CHRM1CHRM3
SCHEMBL7507548 0.77 SCN9A (0.36) SLC6A4HRH3LMNASMN1; SMN2
SCHEMBL7144481 0.71 SIGMAR1 (0.38) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL27510859 0.71 HRH3 (0.31) MEN1KMT2AHRH3LMNAHPGD
SCHEMBL7146409 0.70 PAX8 (0.35) CHRM2CHRM1CHRM3KDM1AMAOA
Hydrochloric Acid SCHEMBL7513726 0.69 SCN9A (0.35) OPRL1KDM1AMAOAMAOBSLC6A4
SCHEMBL7144463 0.69 CHRM2 (0.34) CHRM2CHRM1CHRM3KDM1AMAOA

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