SCHEMBL6875682

SCHEMBL6875682

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c4ccc(OCc5ccccc5)cc34)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TRPM8 Q7Z2W7 3/20 0.47
HTR1D P28221 3/20 0.47
SLC6A4 P31645 1/20 0.45
LTA4H P09960 5/20 0.45
PLA2G2A P14555 5/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6875686 1.00 SIGMAR1 (0.52) SIGMAR1MEN1KMT2ATRPM8HTR1D
SCHEMBL13793201 0.86 MCHR1 (0.53) SIGMAR1MEN1KMT2ATRPM8HTR1D
SCHEMBL6460015 0.85 HTT (0.52) SIGMAR1MEN1KMT2APOLBMAPT
SCHEMBL6462237 0.85 HTT (0.52) SIGMAR1MEN1KMT2APOLBMAPT
SCHEMBL6874755 0.83 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ATRPM8HTR1D
SCHEMBL6874760 0.83 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ATRPM8HTR1D
SCHEMBL6868681 0.83 SIGMAR1 (0.51) SIGMAR1MEN1KMT2ATRPM8HTR1D
SCHEMBL6868677 0.83 SIGMAR1 (0.51) SIGMAR1MEN1KMT2ATRPM8HTR1D
SCHEMBL6874037 0.79 AURKA (0.50) SIGMAR1MEN1KMT2A
SCHEMBL6874044 0.79 AURKA (0.50) SIGMAR1MEN1KMT2A

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