SCHEMBL7054601

SCHEMBL7054601

Cc1c(OC(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
ALDH1A1 P00352 7/20 0.40
MAPT P10636 6/20 0.40
KMT2A Q03164 6/20 0.40
HPGD P15428 5/20 0.40
MEN1 O00255 5/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
EPHX2 P34913 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL7059080 0.94 MCHR1 (0.43) MCHR1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7050099 0.94 ALDH1A1 (0.41) MCHR1ALDH1A1MAPTKMT2AHPGD
SCHEMBL6902620 0.93 MCHR1 (0.42) MCHR1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7053934 0.93 NR1H4 (0.40) MCHR1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7060834 0.93 MAPT (0.39) MCHR1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7060964 0.93 ALDH1A1 (0.44) MCHR1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7054997 0.93 ALDH1A1 (0.40) MCHR1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7057946 0.93 ALDH1A1 (0.40) MCHR1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7057769 0.92 EGFR (0.39) MCHR1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7056261 0.92 MAPT (0.50) MCHR1ALDH1A1MAPTKMT2AHPGD

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