SCHEMBL2364784

SCHEMBL2364784

S=Cc1ccccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
HTR2A P28223 1/20 0.45
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
TBXA2R P21731 3/20 0.41
PTGER3 P43115 3/20 0.41
PTGER2 P43116 3/20 0.41
PTGDR Q13258 3/20 0.41
NR1H2 P55055 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGER4 P35408 2/20 0.38
PTGFR P43088 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER1 P34995 1/20 0.37
PTGIR P43119 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KEAP1 Q14145 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL872046 0.80 LMNA (0.52) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL31588310 0.80 LMNA (0.52) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL163961 0.78 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL28182492 0.78 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL2335217 0.78 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL405627 0.78 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL5214340 0.77 CALM1 (0.44) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL972711 0.75 CALM1 (0.69) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL28667698 0.75 NFE2L2 (0.48) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL10798008 0.74 HPGD (0.44) CALM1HTR2ABCL2BCL2L1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed
US-5606066-A Light activable \"caged\" 1-(2-nitrobenzyl)-substituted 1,4-dihydropyridines GOLDMANN SIEGFRIED (DE) 1997-02-25 US disclosed
EP-0071819-B2 DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION BAYER AG (DE) 1992-06-10 EP disclosed
EP-0071819-B1 DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION BAYER AG (DE) 1987-04-22 EP disclosed
US-4532248-A Administering 1,4-dihydropyridine derivative exhibiting positive inotropic activity BAYER AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
EP-0071819-A1 Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation BAYER AG (DE) 1983-02-16 EP disclosed