SCHEMBL6868978

SCHEMBL6868978

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)NCc3ccc(F)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.54
MCHR1 Q99705 5/20 0.46
ADRA2A P08913 3/20 0.46
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
PKM P14618 1/20 0.42
ALPL P05186 1/20 0.41
ALOX12 P18054 1/20 0.41
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 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
SCHEMBL6868980 1.00 LMNA (0.55) LMNAALDH1A1MCHR1ADRA2AADRA1A
SCHEMBL6868673 0.91 ALPL (0.52) LMNAALDH1A1MCHR1ADRA2AHRH1
SCHEMBL7044566 0.91 BCHE (0.46) LMNAALDH1A1MCHR1ADRA2APKM
SCHEMBL6868667 0.91 ALPL (0.52) LMNAALDH1A1MCHR1ADRA2AHRH1
SCHEMBL7044564 0.91 BCHE (0.46) LMNAALDH1A1MCHR1ADRA2APKM
SCHEMBL6875979 0.91 LMNA (0.54) LMNAALDH1A1MCHR1ADRA2AADRA1A
SCHEMBL6875974 0.91 LMNA (0.54) LMNAALDH1A1MCHR1ADRA2AADRA1A
SCHEMBL6875063 0.90 MCHR1 (0.47) LMNAALDH1A1MCHR1ADRA2AADRA1A
SCHEMBL6875068 0.90 MCHR1 (0.47) LMNAALDH1A1MCHR1ADRA2AADRA1A
SCHEMBL6875718 0.89 PKM (0.45) LMNAALDH1A1MCHR1ADRA2APKM

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