SCHEMBL6873271

SCHEMBL6873271

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
MCHR1 Q99705 2/20 0.53
ADRA2A P08913 1/20 0.53
DCUN1D1 Q96GG9 11/20 0.50
UBE2M P61081 9/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CXCR3 P49682 1/20 0.47
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
GSK3B P49841 1/20 0.43

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
SCHEMBL6873277 1.00 EPHX2 (0.56) EPHX2MCHR1ADRA2ADCUN1D1UBE2M
SCHEMBL6874120 0.91 MCHR1 (0.48) EPHX2MCHR1ADRA2ADCUN1D1UBE2M
SCHEMBL6874126 0.91 MCHR1 (0.48) EPHX2MCHR1ADRA2ADCUN1D1UBE2M
SCHEMBL6876190 0.90 LMNA (0.57) EPHX2MCHR1ADRA2AMEN1KMT2A
SCHEMBL6876195 0.90 LMNA (0.57) EPHX2MCHR1ADRA2AMEN1KMT2A
SCHEMBL6877906 0.89 EPHX2 (0.48) EPHX2MCHR1ADRA2A
SCHEMBL6877908 0.89 EPHX2 (0.48) EPHX2MCHR1ADRA2A
SCHEMBL6868229 0.89 KMT2A (0.53) EPHX2MCHR1ADRA2AMEN1KMT2A
SCHEMBL6868233 0.89 KMT2A (0.53) EPHX2MCHR1ADRA2AMEN1KMT2A
SCHEMBL6873734 0.88 CXCR3 (0.47) EPHX2MCHR1ADRA2ACXCR3

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