SCHEMBL6873100

SCHEMBL6873100

CN(C)c1cc(NC2CCC(CNC(=O)c3cccc(Cl)c3Cl)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.47
ACACA Q13085 6/20 0.47
MCHR1 Q99705 6/20 0.46
NPY5R Q15761 4/20 0.46
ADRA2A P08913 4/20 0.46
CHRM1 P11229 1/20 0.42
P2RX7 Q99572 2/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6873098 1.00 ACACB (0.47) ACACBACACAMCHR1NPY5RADRA2A
SCHEMBL6875578 0.92 MCHR1 (0.47) ACACBACACAMCHR1NPY5RADRA2A
SCHEMBL6875585 0.92 MCHR1 (0.47) ACACBACACAMCHR1NPY5RADRA2A
SCHEMBL6464256 0.90 NPY5R (0.45) ACACBACACAMCHR1NPY5RADRA2A
SCHEMBL6464258 0.90 NPY5R (0.45) ACACBACACAMCHR1NPY5RADRA2A
SCHEMBL6878858 0.89 MCHR1 (0.51) ACACBACACAMCHR1NPY5RADRA2A
SCHEMBL6878852 0.89 MCHR1 (0.51) ACACBACACAMCHR1NPY5RADRA2A
SCHEMBL6876486 0.87 MCHR1 (0.46) ACACBACACAMCHR1NPY5RADRA2A
SCHEMBL6876478 0.87 MCHR1 (0.46) ACACBACACAMCHR1NPY5RADRA2A
SCHEMBL6875313 0.87 MCHR1 (0.48) ACACBACACAMCHR1NPY5RADRA2A

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