SCHEMBL7053934

SCHEMBL7053934

Cc1c(OC(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
MCHR1 Q99705 1/20 0.39
EPHX2 P34913 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
EGFR P00533 1/20 0.37
NPY2R P49146 2/20 0.37

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
SCHEMBL7060766 0.94 MCHR1 (0.40) NR1H4MCHR1MAPK8MAPK10HPGD
SCHEMBL7054601 0.93 MCHR1 (0.43) MCHR1EPHX2HPGDMAPTALDH1A1
SCHEMBL7060834 0.91 MAPT (0.39) NR1H4MCHR1HPGDMAPTALDH1A1
SCHEMBL7057769 0.91 EGFR (0.39) MCHR1HPGDMAPTALDH1A1MEN1
SCHEMBL7059006 0.90 ALDH1A1 (0.39) NR1H4MCHR1HPGDMAPTALDH1A1
SCHEMBL7050099 0.90 ALDH1A1 (0.41) NR1H4MCHR1HPGDMAPTALDH1A1
SCHEMBL7058698 0.89 MAPT (0.42) MAPK10HPGDMAPTALDH1A1MEN1
SCHEMBL7060964 0.88 ALDH1A1 (0.44) MCHR1HPGDMAPTALDH1A1MEN1
SCHEMBL7054997 0.88 ALDH1A1 (0.40) NR1H4MCHR1HPGDMAPTALDH1A1
SCHEMBL7057946 0.88 ALDH1A1 (0.40) MCHR1HPGDMAPTALDH1A1MEN1

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-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed