SCHEMBL4641252

SCHEMBL4641252

CN1CCC(N(C)c2nc3cc(NC(=O)Oc4ccc(-c5ccc(F)cc5)s4)ccc3o2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.39
MCHR1 Q99705 2/20 0.38
MAPT P10636 6/20 0.38
OPRM1 P35372 1/20 0.38
CACNA2D1 P54289 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
HTR1A P08908 2/20 0.37
HTR1F P30939 2/20 0.37
TP53 P04637 5/20 0.36
HTR1B P28222 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 2/20 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
SCHEMBL4642981 0.93 NPC1 (0.38) PTGDR2MCHR1MAPTKDM4EALDH1A1
SCHEMBL4641260 0.92 MCHR1 (0.38) PTGDR2MCHR1KDM4EALDH1A1RAB9A
SCHEMBL4644568 0.92 CASP3 (0.39) PTGDR2MCHR1MAPTTP53THRB
SCHEMBL4643611 0.92 SMN1; SMN2 (0.39) PTGDR2MCHR1MAPTKDM4EALDH1A1
SCHEMBL4641302 0.92 MAPT (0.42) PTGDR2MCHR1MAPTKDM4EALDH1A1
SCHEMBL4643502 0.90 PTGDR2 (0.40) PTGDR2MCHR1MAPTHTR1AHTR1F
SCHEMBL4646542 0.89 MCHR1 (0.41) PTGDR2MCHR1MAPTKDM4EHPGD
SCHEMBL4641270 0.88 MAPT (0.40) MCHR1MAPTKDM4EALDH1A1HPGD
SCHEMBL4646624 0.88 MAPT (0.42) PTGDR2MCHR1MAPTKDM4EALDH1A1
SCHEMBL5247593 0.88 ESRRG (0.44) PTGDR2MCHR1MAPTKDM4EALDH1A1

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