SCHEMBL6702299

SCHEMBL6702299

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(Br)c(OC)cc3OC)c(CCC3CCCCC3)s2)cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.38
SCD O00767 1/20 0.36
MEN1 O00255 1/20 0.36
CCKAR P32238 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PLTP P55058 2/20 0.34
ECE1 P42892 1/20 0.34
TP53 P04637 1/20 0.34
CNR2 P34972 1/20 0.34
F10 P00742 1/20 0.34
IMPDH2 P12268 1/20 0.33

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
SCHEMBL7682217 0.92 TRPV4 (0.38) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7679717 0.91 MEN1 (0.40) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL6703565 0.87 TRPV4 (0.35) TRPV4SCDKMT2AMAPTALDH1A1
SCHEMBL7086912 0.86 SCD (0.36) TRPV4SCDMEN1CCKARKMT2A
SCHEMBL7684903 0.86 KMT2A (0.42) TRPV4MEN1CCKARKMT2APLTP
SCHEMBL7688740 0.85 MEN1 (0.46) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7677660 0.85 TRPV4 (0.37) TRPV4MEN1CCKARKMT2APLTP
SCHEMBL7086907 0.84 F10 (0.38) TRPV4SCDMEN1CCKARKMT2A
SCHEMBL7688497 0.84 MEN1 (0.39) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL6702441 0.83 MAPT (0.39) TRPV4MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed