SCHEMBL6868342

SCHEMBL6868342

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
MCHR1 Q99705 11/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
ADRA2A P08913 5/20 0.41
ADRA1A P35348 2/20 0.41
HRH1 P35367 2/20 0.41
HTR2B P41595 2/20 0.41
HTR1A P08908 1/20 0.41
NPY5R Q15761 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.38
EPHX1 P07099 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
SCHEMBL6868349 1.00 MEN1 (0.44) MEN1KMT2AMAPTRAB9AMCHR1
SCHEMBL6875405 0.92 KMT2A (0.46) MEN1KMT2AMAPTRAB9AMCHR1
SCHEMBL6875402 0.92 KMT2A (0.46) MEN1KMT2AMAPTRAB9AMCHR1
SCHEMBL6877102 0.89 NPC1 (0.53) MEN1KMT2ARAB9AMCHR1SMN1; SMN2
SCHEMBL6877094 0.89 NPC1 (0.53) MEN1KMT2ARAB9AMCHR1SMN1; SMN2
SCHEMBL6878062 0.86 MEN1 (0.58) MEN1KMT2AMAPTRAB9AMCHR1
SCHEMBL6878058 0.86 MEN1 (0.58) MEN1KMT2AMAPTRAB9AMCHR1
SCHEMBL6876990 0.85 MCHR1 (0.42) MEN1KMT2AMAPTRAB9AMCHR1
SCHEMBL6876996 0.85 MCHR1 (0.42) MEN1KMT2AMAPTRAB9AMCHR1
SCHEMBL6879056 0.85 MCHR1 (0.44) MEN1KMT2ARAB9AMCHR1SMN1; SMN2

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