SCHEMBL4641350

SCHEMBL4641350

CN(C)CCN(C)c1nc2cc(NC(=O)Oc3cnc(-c4ccc(F)cc4)cn3)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
TP53 P04637 6/20 0.42
THRB P10828 3/20 0.41
MCHR1 Q99705 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
RXFP1 Q9HBX9 3/20 0.39
POLB P06746 1/20 0.39
CETP P11597 1/20 0.37
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CEPT1 Q9Y6K0 1/20 0.36
LMNA P02545 1/20 0.35
MET P08581 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
SCHEMBL5246294 0.86 MCHR1 (0.56) MAPTTP53THRBMCHR1SMN1; SMN2
SCHEMBL4641580 0.85 MAPT (0.48) MAPTTP53THRBMCHR1SMN1; SMN2
SCHEMBL3753266 0.82 MCHR1 (0.56) MAPTTP53THRBMCHR1SMN1; SMN2
SCHEMBL4642954 0.81 PTGDR2 (0.39) MAPTTP53THRBMCHR1SMN1; SMN2
SCHEMBL13054203 0.79 MAPT (0.48) MAPTTP53THRBMCHR1SMN1; SMN2
SCHEMBL13054157 0.79 MAPT (0.61) MAPTTP53THRBMCHR1SMN1; SMN2
Hydrochloric Acid SCHEMBL5249766 0.79 MAPT (0.47) MAPTTP53THRBMCHR1SMN1; SMN2
SCHEMBL4643568 0.77 MCHR1 (0.47) MAPTTP53MCHR1SMN1; SMN2KDM4E
SCHEMBL5300628 0.77 MCHR1 (0.54) MAPTTP53THRBMCHR1SMN1; SMN2
SCHEMBL4644600 0.75 MAPT (0.45) MAPTTP53THRBSMN1; SMN2KDM4E

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