SCHEMBL4646624

SCHEMBL4646624

CN1CCC(N(C)c2nc3cc(NC(=O)Oc4ccc(-c5ccc(F)cc5)cc4)ccc3o2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
TP53 P04637 5/20 0.42
PTGDR2 Q9Y5Y4 7/20 0.42
THRB P10828 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
MCHR1 Q99705 1/20 0.40
HTR1A P08908 2/20 0.39
HTR1F P30939 2/20 0.39
HTR1B P28222 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4641300 0.92 AGPAT2 (0.42) MAPTTP53THRBKDM4EALDH1A1
SCHEMBL4641368 0.92 PTGDR2 (0.40) MAPTTP53PTGDR2THRBMCHR1
SCHEMBL4643098 0.92 MAPT (0.46) MAPTTP53PTGDR2KDM4EALDH1A1
SCHEMBL4643115 0.90 PTGDR2 (0.43) MAPTTP53PTGDR2THRBKDM4E
SCHEMBL4641252 0.88 PTGDR2 (0.39) MAPTTP53PTGDR2THRBKDM4E
SCHEMBL5251678 0.87 MAPT (0.56) MAPTTP53THRBKDM4EALDH1A1
SCHEMBL4642954 0.87 PTGDR2 (0.39) MAPTTP53PTGDR2THRBKDM4E
SCHEMBL4641201 0.86 AGPAT2 (0.42) MAPTPTGDR2THRBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5246485 0.86 MAPT (0.55) MAPTTP53THRBKDM4EALDH1A1
SCHEMBL4641410 0.86 AGPAT2 (0.42) MAPTPTGDR2THRBKDM4EALDH1A1

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