SCHEMBL5047742

SCHEMBL5047742

CCCCCc1ccc(CNC(=O)c2cccc(-c3ccc(C[N]Cc4cccc(C#N)c4)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.47
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CFD P00746 1/20 0.43
GAA P10253 1/20 0.42
SENP1 Q9P0U3 2/20 0.42
ERN1 O75460 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMPD1 P17405 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41

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
SCHEMBL1855554 0.85 EPHX2 (0.45) CHRM3EPHX2NR1H4TRPV1ROCK2
SCHEMBL5047546 0.85 NPC1 (0.50) EPHX2NR1H4GAA
SCHEMBL5047990 0.85 EPHX2 (0.51) EPHX2NR1H4TRPV1TSHRCFD
SCHEMBL5047048 0.82 EPHX2 (0.41) CHRM3EPHX2NR1H4TRPV1ROCK2
SCHEMBL5047823 0.78 GAA (0.46) CHRM3ROCK2ROCK1GAAKLKB1
SCHEMBL1855976 0.76 EPHX2 (0.55) EPHX2NR1H4TRPV1CFDSENP1
SCHEMBL11753901 0.75 TSHR (0.69) TSHRHSD17B10
SCHEMBL15562038 0.74 EPHX2 (0.71) CHRM3EPHX2NR1H4ROCK1CFD
SCHEMBL1853253 0.74 NAMPT (0.44) GAAHDAC1
SCHEMBL1858105 0.74 NAMPT (0.44) GAAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed