SCHEMBL4641368

SCHEMBL4641368

CN1CCC(N(C)c2nc3cc(NC(=O)Oc4ccc(-c5ccc(F)cc5F)cc4)ccc3o2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.40
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
HTR1F P30939 1/20 0.38
TP53 P04637 2/20 0.38
MCHR1 Q99705 1/20 0.37
DYRK1A Q13627 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
THRB P10828 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
SCHEMBL4643098 0.93 MAPT (0.46) PTGDR2MAPTPOLBHTR1FTP53
SCHEMBL4646624 0.92 MAPT (0.42) PTGDR2MAPTHTR1FTP53MCHR1
SCHEMBL13054171 0.88 MAPT (0.49) PTGDR2MAPTPOLBHTR1FTP53
SCHEMBL4641201 0.87 AGPAT2 (0.42) PTGDR2MAPTPOLBTHRB
SCHEMBL4643502 0.87 PTGDR2 (0.40) PTGDR2MAPTPOLBHTR1FMCHR1
SCHEMBL4641300 0.86 AGPAT2 (0.42) MAPTPOLBTP53MCHR1THRB
SCHEMBL4643048 0.86 AGPAT2 (0.42) MAPTPOLBTP53THRB
SCHEMBL4641410 0.86 AGPAT2 (0.42) PTGDR2MAPTPOLBMCHR1THRB
SCHEMBL4643115 0.83 PTGDR2 (0.43) PTGDR2MAPTPOLBTP53THRB
SCHEMBL4641252 0.82 PTGDR2 (0.39) PTGDR2MAPTHTR1FTP53MCHR1

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