SCHEMBL4643538

SCHEMBL4643538

COc1ccc(-c2ccc(OC(=O)Nc3ccc4nc(N(C)C5CCN(C)C5)sc4c3)cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.41
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
KCNH2 Q12809 1/20 0.37
USP30 Q70CQ3 1/20 0.36
TP53 P04637 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
SCHEMBL5293870 0.91 MAPT (0.44) MCHR1MAPTMEN1KMT2ATP53
SCHEMBL4641230 0.86 PTGDR2 (0.42) MCHR1MAPTKMT2ATDP1TP53
SCHEMBL4645865 0.81 PTGDR2 (0.41) MAPTKMT2ATDP1KCNH2TP53
SCHEMBL4641465 0.81 KMT2A (0.41) MCHR1MAPTKMT2ATDP1TP53
SCHEMBL4641406 0.80 MAPT (0.42) MCHR1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4641189 0.74 CHRM3 (0.41) MAPTKMT2ATDP1TP53POLB
SCHEMBL13054240 0.74 HTR1F (0.49) MCHR1MAPTTP53POLB
SCHEMBL4643578 0.73 MCHR1 (0.44) MCHR1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4641593 0.72 MAPT (0.46) MCHR1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4647202 0.72 CACNA1B (0.44) MCHR1MAPTSMN1; SMN2ALDH1A1MEN1

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-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed