SCHEMBL6877906

SCHEMBL6877906

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.48
ADRA2A P08913 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL6877908 1.00 EPHX2 (0.48) EPHX2ADRA2AMCHR1
SCHEMBL6875728 0.92 EPHX1 (0.54) EPHX2ADRA2AMCHR1
SCHEMBL6875734 0.92 EPHX1 (0.54) EPHX2ADRA2AMCHR1
SCHEMBL6874126 0.91 MCHR1 (0.48) EPHX2ADRA2AMCHR1
SCHEMBL6874120 0.91 MCHR1 (0.48) EPHX2ADRA2AMCHR1
SCHEMBL6465036 0.90 MCHR1 (0.51) EPHX2ADRA2AMCHR1
SCHEMBL6465026 0.90 MCHR1 (0.51) EPHX2ADRA2AMCHR1
SCHEMBL6873277 0.89 EPHX2 (0.56) EPHX2ADRA2AMCHR1
SCHEMBL6873271 0.89 EPHX2 (0.56) EPHX2ADRA2AMCHR1
SCHEMBL6873270 0.89 SMN1; SMN2 (0.53) ADRA2AMCHR1

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