SCHEMBL6877517

SCHEMBL6877517

Cc1nc(N[C@H]2CC[C@@H](NC(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)nc(N(C)C)c1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.51
MCHR1 Q99705 3/20 0.49
GBA1 P04062 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PABPC1 P11940 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ADRA2A P08913 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR1 P21453 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FAAH O00519 1/20 0.42
EPHX2 P34913 1/20 0.42
NPY5R Q15761 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
SCHEMBL6877520 1.00 NOX1 (0.51) NOX1MCHR1GBA1MEN1KMT2A
SCHEMBL6877480 0.86 NOX1 (0.48) NOX1MCHR1GBA1MEN1KMT2A
SCHEMBL6877475 0.86 NOX1 (0.48) NOX1MCHR1GBA1MEN1KMT2A
SCHEMBL27632522 0.82 MCHR1 (0.44) NOX1MCHR1MEN1KMT2AADRA2A
SCHEMBL27632525 0.82 MCHR1 (0.44) NOX1MCHR1MEN1KMT2AADRA2A
SCHEMBL4262113 0.79 NOX1 (0.51) NOX1GBA1MEN1KMT2APABPC1
SCHEMBL4262116 0.79 NOX1 (0.51) NOX1GBA1MEN1KMT2APABPC1
SCHEMBL4028034 0.79 MCHR1 (0.59) MCHR1MEN1KMT2ARAB9ANPC1
SCHEMBL4028042 0.79 MCHR1 (0.59) MCHR1MEN1KMT2ARAB9ANPC1
SCHEMBL6874808 0.78 MCHR1 (0.51) MCHR1MEN1KMT2AADRA2AALDH1A1

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