SCHEMBL4643568

SCHEMBL4643568

CN(C)CCN(C)c1nc2cc(NC(=O)Oc3ccc(-c4ccccc4)cc3)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
AGPAT2 O15120 1/20 0.46
PORCN Q9H237 1/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 5/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDR P35968 1/20 0.42
UTRN P46939 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PPARG P37231 1/20 0.42
CHIA Q9BZP6 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
SCHEMBL4641580 0.92 MAPT (0.48) MCHR1ALDH1A1POLBNPC1RAB9A
SCHEMBL4643855 0.86 AGPAT2 (0.45) MCHR1AGPAT2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5247226 0.85 MCHR1 (0.61) MCHR1ALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL4641167 0.85 AGPAT2 (0.46) AGPAT2POLBMAPTTP53
SCHEMBL4641336 0.85 AGPAT2 (0.46) MCHR1AGPAT2ALDH1A1POLBNPC1
SCHEMBL3754747 0.81 MCHR1 (0.63) MCHR1MAPTHDAC6TP53MEN1
SCHEMBL4644600 0.81 MAPT (0.45) ALDH1A1POLBNPC1RAB9AKDM4E
SCHEMBL4641261 0.79 KDM4E (0.44) MCHR1ALDH1A1POLBNPC1RAB9A
SCHEMBL4641300 0.79 AGPAT2 (0.42) MCHR1AGPAT2PORCNALDH1A1POLB
SCHEMBL4641319 0.78 MAPT (0.42) ALDH1A1POLBNPC1RAB9AKDM4E

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