SCHEMBL6867217

SCHEMBL6867217

Cc1c(NC(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MCHR1 Q99705 7/20 0.43
ADRA2A P08913 6/20 0.43
LMNA P02545 3/20 0.42
HRH1 P35367 4/20 0.40
HTR2B P41595 4/20 0.40
ADRA1A P35348 2/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
CYP2C9 P11712 1/20 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
SCHEMBL6867214 1.00 KMT2A (0.59) KMT2AMCHR1ADRA2ALMNAHRH1
SCHEMBL6869288 0.92 KMT2A (0.47) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6869284 0.92 KMT2A (0.47) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6878661 0.90 KMT2A (0.46) KMT2AMCHR1ADRA2ALMNAHRH1
SCHEMBL6878656 0.90 KMT2A (0.46) KMT2AMCHR1ADRA2ALMNAHRH1
SCHEMBL6876650 0.89 MCHR1 (0.44) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6876661 0.89 MCHR1 (0.44) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6874777 0.89 MCHR1 (0.44) KMT2AMCHR1ADRA2ALMNAHRH1
SCHEMBL6874772 0.89 MCHR1 (0.44) KMT2AMCHR1ADRA2ALMNAHRH1
SCHEMBL6875129 0.87 MCHR1 (0.41) KMT2AMCHR1ADRA2AHRH1HTR2B

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