SCHEMBL5300724

SCHEMBL5300724

Cc1ccccc1N(C)CCN(C)c1nc2cc(NC(=O)c3ccc(OC4CCCCC4)cc3)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.45
MCHR1 Q99705 3/20 0.44
RXFP1 Q9HBX9 4/20 0.43
THRB P10828 2/20 0.43
TP53 P04637 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3744434 0.90 MAPT (0.46) MAPTMCHR1RXFP1THRBTP53
SCHEMBL3743907 0.79 MAPT (0.47) MAPTMCHR1RXFP1THRBTP53
Hydrochloric Acid SCHEMBL3748748 0.78 MAPT (0.47) MAPTMCHR1RXFP1THRBTP53
SCHEMBL3743699 0.78 HDAC6 (0.47) MAPTMCHR1RXFP1THRBTP53
SCHEMBL3754747 0.77 MCHR1 (0.63) MAPTMCHR1RXFP1THRBTP53
SCHEMBL3746952 0.74 HDAC6 (0.45) MAPTMCHR1RXFP1THRBTP53
SCHEMBL5247226 0.74 MCHR1 (0.61) MAPTMCHR1RXFP1THRBTP53
SCHEMBL14100023 0.73 HDAC6 (0.43) MAPTMCHR1RXFP1THRBTP53
SCHEMBL3746679 0.72 MAPT (0.61) MAPTMCHR1RXFP1THRBTP53
Hydrochloric Acid SCHEMBL3743909 0.72 HDAC6 (0.42) MAPTMCHR1RXFP1THRBTP53

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