SCHEMBL4643502

SCHEMBL4643502

CN1CCC(N(C)c2nc3cc(NC(=O)Oc4ccc(-c5ccc(F)cc5F)s4)ccc3o2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.40
HTR1F P30939 3/20 0.38
MCHR1 Q99705 1/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL4641252 0.90 PTGDR2 (0.39) PTGDR2HTR1FMCHR1MAPTHTR1A
SCHEMBL5246991 0.88 HTR1F (0.42) PTGDR2HTR1FMCHR1POLBMAPT
SCHEMBL4641260 0.87 MCHR1 (0.38) PTGDR2MCHR1CHRM3
SCHEMBL4641368 0.87 PTGDR2 (0.40) PTGDR2HTR1FMCHR1POLBMAPT
SCHEMBL4643611 0.86 SMN1; SMN2 (0.39) PTGDR2MCHR1POLBMAPT
SCHEMBL4642981 0.85 NPC1 (0.38) PTGDR2MCHR1POLBMAPT
SCHEMBL4644568 0.84 CASP3 (0.39) PTGDR2MCHR1MAPT
SCHEMBL4641302 0.84 MAPT (0.42) PTGDR2MCHR1POLBMAPT
SCHEMBL4646542 0.82 MCHR1 (0.41) PTGDR2MCHR1MAPTCHRM3
SCHEMBL4641270 0.82 MAPT (0.40) MCHR1POLBMAPT

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