SCHEMBL5243702

SCHEMBL5243702

CCN(CC)CCCN(C)c1nc2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MCHR1 Q99705 3/20 0.44
HTR2C P28335 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL5247759 0.95 TP53 (0.51) TP53RXFP1MAPTPOLBALDH1A1
SCHEMBL13054226 0.92 MAPT (0.51) TP53RXFP1MAPTPOLBALDH1A1
SCHEMBL5247267 0.88 MCHR1 (0.54) TP53RXFP1MAPTPOLBMCHR1
SCHEMBL4641303 0.87 TMPRSS15 (0.44) TP53MAPTALDH1A1NPSR1LMNA
SCHEMBL13054139 0.85 MAPT (0.50) TP53RXFP1MAPTPOLBALDH1A1
SCHEMBL13054151 0.85 MAPT (0.51) TP53RXFP1MAPTPOLBMCHR1
SCHEMBL13054214 0.84 TP53 (0.49) TP53RXFP1MAPTPOLBMCHR1
SCHEMBL13054192 0.82 HTR2C (0.57) TP53RXFP1MAPTPOLBMCHR1
SCHEMBL13054125 0.82 MCHR1 (0.55) TP53RXFP1MAPTPOLBALDH1A1
SCHEMBL13054194 0.82 HTR2C (0.56) TP53RXFP1MAPTPOLBMCHR1

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 5 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
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
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