SCHEMBL6875816

SCHEMBL6875816

CCOC(=O)[C@H](CC(C)C)NC(=O)NC[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.41
MCHR1 Q99705 2/20 0.39
ACACB O00763 3/20 0.39
ACACA Q13085 2/20 0.39
MDM2 Q00987 1/20 0.39
NPY5R Q15761 2/20 0.38
ADRA2A P08913 1/20 0.38
AVPR1B P47901 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ANPEP P15144 2/20 0.36
ELANE P08246 5/20 0.35

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
SCHEMBL6875819 1.00 PPID (0.41) PPIDMCHR1ACACBACACAMDM2
SCHEMBL6875811 1.00 PPID (0.41) PPIDMCHR1ACACBACACAMDM2
SCHEMBL6876320 0.90 MCHR1 (0.41) PPIDMCHR1ADRA2A
SCHEMBL5530254 0.85 MCHR1 (0.52) MCHR1NPY5RADRA2A
SCHEMBL5530257 0.85 MCHR1 (0.52) MCHR1NPY5RADRA2A
SCHEMBL5530248 0.85 MCHR1 (0.52) MCHR1NPY5RADRA2A
SCHEMBL6460344 0.83 PTGIR (0.48) MCHR1ACACBACACANPY5RADRA2A
SCHEMBL6460333 0.83 PTGIR (0.48) MCHR1ACACBACACANPY5RADRA2A
SCHEMBL6878604 0.82 MCHR1 (0.48) MCHR1ACACBACACANPY5RADRA2A
SCHEMBL6878610 0.82 MCHR1 (0.48) MCHR1ACACBACACANPY5RADRA2A

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