SCHEMBL6874368

SCHEMBL6874368

CN(C)c1cc(NC2CCC(NC(=O)CCc3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.49
ADRA2A P08913 3/20 0.49
SIGMAR1 Q99720 2/20 0.42
MAOB P27338 1/20 0.42
PYGL P06737 1/20 0.41
SMYD3 Q9H7B4 1/20 0.39
CCR1 P32246 1/20 0.39
CCR3 P51677 1/20 0.39
CCR2 P41597 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
TNKS O95271 3/20 0.38
PARP2 Q9UGN5 3/20 0.38
PARP1 P09874 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL6874363 1.00 MCHR1 (0.49) MCHR1ADRA2ASIGMAR1MAOBPYGL
SCHEMBL6874285 0.92 MCHR1 (0.51) MCHR1ADRA2ASIGMAR1CCR1CCR3
SCHEMBL6874276 0.92 MCHR1 (0.51) MCHR1ADRA2ASIGMAR1CCR1CCR3
SCHEMBL6875053 0.90 MCHR1 (0.49) MCHR1ADRA2ASMYD3
SCHEMBL6875056 0.90 MCHR1 (0.49) MCHR1ADRA2ASMYD3
SCHEMBL6875404 0.84 LMNA (0.52) MCHR1ADRA2ASIGMAR1
SCHEMBL6875397 0.84 LMNA (0.52) MCHR1ADRA2ASIGMAR1
SCHEMBL13793649 0.84 MCHR1 (0.70) MCHR1ADRA2A
SCHEMBL6872998 0.83 MCHR1 (0.51) MCHR1ADRA2ASIGMAR1
SCHEMBL6872993 0.83 MCHR1 (0.51) MCHR1ADRA2ASIGMAR1

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