SCHEMBL5047546

SCHEMBL5047546

N#Cc1cccc(C[N]Cc2ccc(-c3cccc(C(=O)NCCCc4ccccc4)c3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
F10 P00742 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
KDM4B O94953 1/20 0.48
NAMPT P43490 3/20 0.48
MAPT P10636 1/20 0.46
SNCA P37840 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
KAT6A Q92794 2/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
FAAH O00519 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44

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
SCHEMBL5047742 0.85 CHRM3 (0.47) GAAEPHX2NR1H4
SCHEMBL1856432 0.85 F10 (0.47) NPC1RAB9AF10ALDH1A1HPGD
SCHEMBL5047823 0.83 GAA (0.46) NPC1RAB9AMAPTSNCAGAA
SCHEMBL6022596 0.83 F10 (0.49) NPC1RAB9AF10ALDH1A1HPGD
SCHEMBL5044937 0.80 F10 (0.44) NPC1RAB9AF10ALDH1A1HPGD
SCHEMBL1858105 0.75 NAMPT (0.44) NAMPTGAA
SCHEMBL1853253 0.75 NAMPT (0.44) NAMPTGAA
SCHEMBL1854548 0.75 GAA (0.45) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL3900132 0.75 RAB9A (0.63) NPC1RAB9AF10NAMPTSNCA
SCHEMBL5045301 0.75 GAA (0.46) NPC1RAB9AALDH1A1HPGDMAPT

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