SCHEMBL4642954

SCHEMBL4642954

CN1CCC(N(C)c2nc3cc(NC(=O)Oc4cnc(-c5ccc(F)cc5)cn4)ccc3o2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.39
MAPT P10636 5/20 0.37
TP53 P04637 4/20 0.37
RAB9A P51151 2/20 0.37
HTR1A P08908 2/20 0.37
HTR1F P30939 2/20 0.37
HTR1B P28222 1/20 0.37
THRB P10828 2/20 0.37
OPRM1 P35372 1/20 0.37
CACNA2D1 P54289 1/20 0.37
MCHR1 Q99705 3/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5246118 0.87 MCHR1 (0.50) PTGDR2MAPTTP53RAB9AHTR1A
SCHEMBL4646624 0.87 MAPT (0.42) PTGDR2MAPTTP53RAB9AHTR1A
SCHEMBL3750082 0.85 MCHR1 (0.51) MAPTTP53HTR1AHTR1FHTR1B
SCHEMBL4641252 0.83 PTGDR2 (0.39) PTGDR2MAPTTP53RAB9AHTR1A
SCHEMBL4641350 0.81 MAPT (0.42) MAPTTP53RAB9ATHRBMCHR1
SCHEMBL4641368 0.81 PTGDR2 (0.40) PTGDR2MAPTTP53HTR1FTHRB
SCHEMBL5251678 0.81 MAPT (0.56) MAPTTP53HTR1AHTR1FHTR1B
SCHEMBL4643098 0.81 MAPT (0.46) PTGDR2MAPTTP53RAB9AHTR1F
Hydrochloric Acid SCHEMBL5246485 0.80 MAPT (0.55) MAPTTP53HTR1AHTR1FHTR1B
SCHEMBL4641300 0.80 AGPAT2 (0.42) MAPTTP53RAB9ATHRBMCHR1

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