SCHEMBL5296148

SCHEMBL5296148

CN1CCC(C[As](C)c2nc3cc(NC(=O)c4ccc(Oc5ccccc5)cc4)ccc3o2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.45
MAPT P10636 10/20 0.44
RXFP1 Q9HBX9 3/20 0.44
THRB P10828 1/20 0.43
TP53 P04637 3/20 0.43
DGAT1 O75907 1/20 0.42
MCHR1 Q99705 1/20 0.42
IL6 P05231 1/20 0.42
STAT3 P40763 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
PTGS2 P35354 1/20 0.41
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL3749079 0.82 MCHR1 (0.45) FLT3MAPTRXFP1THRBTP53
SCHEMBL3753843 0.77 MAPT (0.48) MAPTRXFP1THRBTP53DGAT1
Hydrochloric Acid SCHEMBL3754000 0.76 MAPT (0.47) MAPTRXFP1THRBTP53DGAT1
SCHEMBL5296164 0.75 MAPT (0.46) MAPTRXFP1THRBTP53IL6
SCHEMBL19432575 0.71 TP53 (0.76) MAPTRXFP1THRBTP53PTGS2
SCHEMBL3746171 0.71 MAPT (0.51) FLT3MAPTRXFP1THRBTP53
SCHEMBL3754747 0.69 MCHR1 (0.63) MAPTRXFP1THRBTP53MCHR1
Hydrochloric Acid SCHEMBL5326025 0.68 MAPT (0.51) MAPTRXFP1THRBTP53PTGS2
SCHEMBL30860341 0.68 FLT3 (0.51) FLT3DGAT1MCHR1NR1H4
SCHEMBL5290458 0.68 MAPT (0.52) MAPTTHRBTP53MCHR1

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 disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed