SCHEMBL6873005

SCHEMBL6873005

Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
ADRA2A P08913 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 7/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 6/20 0.39
LMNA P02545 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX1 P07099 1/20 0.39
HRH1 P35367 2/20 0.39
HTR2B P41595 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6873000 1.00 MCHR1 (0.47) MCHR1ADRA2AL3MBTL1ALDH1A1POLB
SCHEMBL6867674 0.93 ADRA2A (0.47) MCHR1ADRA2AL3MBTL1ALDH1A1POLB
SCHEMBL6867680 0.93 ADRA2A (0.47) MCHR1ADRA2AL3MBTL1ALDH1A1POLB
SCHEMBL6878623 0.90 NPSR1 (0.48) MCHR1ADRA2AL3MBTL1ALDH1A1POLB
SCHEMBL6878618 0.90 NPSR1 (0.48) MCHR1ADRA2AL3MBTL1ALDH1A1POLB
SCHEMBL6873523 0.90 ADRA2A (0.46) MCHR1ADRA2AALDH1A1MEN1KMT2A
SCHEMBL6873527 0.90 ADRA2A (0.46) MCHR1ADRA2AALDH1A1MEN1KMT2A
SCHEMBL6879376 0.89 KMT2A (0.53) MCHR1ADRA2AL3MBTL1ALDH1A1POLB
SCHEMBL6879371 0.89 KMT2A (0.53) MCHR1ADRA2AL3MBTL1ALDH1A1POLB
SCHEMBL7113893 0.88 MCHR1 (0.46) MCHR1ADRA2APOLBMAPTHRH1

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed