SCHEMBL5300628

SCHEMBL5300628

CN(CC[As](C)C)c1nc2cc(NC(=O)c3cnc(-c4ccc(F)cc4)cn3)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.54
MAPT P10636 11/20 0.44
TP53 P04637 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 3/20 0.40
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
POLB P06746 1/20 0.39
CETP P11597 1/20 0.37
LMNA P02545 1/20 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
SCHEMBL5246294 0.91 MCHR1 (0.56) MCHR1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL13054203 0.81 MAPT (0.48) MCHR1MAPTTP53SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5249766 0.80 MAPT (0.47) MCHR1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL3753266 0.79 MCHR1 (0.56) MCHR1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL5246118 0.78 MCHR1 (0.50) MCHR1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL4641350 0.77 MAPT (0.42) MCHR1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL13054164 0.75 HDAC6 (0.40) MCHR1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL13054157 0.75 MAPT (0.61) MCHR1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL5248381 0.72 MAPT (0.58) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5248489 0.71 HTR2C (0.55) MCHR1MAPTTP53SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP claimed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO claimed