SCHEMBL6876190

SCHEMBL6876190

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MCHR1 Q99705 2/20 0.49
ADRA2A P08913 1/20 0.49
GAA P10253 3/20 0.44
IDH2 P48735 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PHGDH O43175 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
HPGD P15428 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
SCHEMBL6876195 1.00 LMNA (0.57) LMNAMCHR1ADRA2AGAAIDH2
SCHEMBL6877983 0.91 MCHR1 (0.44) LMNAMCHR1ADRA2AGAAALDH1A1
SCHEMBL6877978 0.91 MCHR1 (0.44) LMNAMCHR1ADRA2AGAAALDH1A1
SCHEMBL6873271 0.90 EPHX2 (0.56) MCHR1ADRA2AMAPTEPHX2MEN1
SCHEMBL6873277 0.90 EPHX2 (0.56) MCHR1ADRA2AMAPTEPHX2MEN1
SCHEMBL6873270 0.89 SMN1; SMN2 (0.53) LMNAMCHR1ADRA2AALDH1A1MEN1
SCHEMBL6873273 0.89 SMN1; SMN2 (0.53) LMNAMCHR1ADRA2AALDH1A1MEN1
SCHEMBL6878582 0.89 MCHR1 (0.47) LMNAMCHR1ADRA2AGAAMEN1
SCHEMBL6878573 0.89 MCHR1 (0.47) LMNAMCHR1ADRA2AGAAMEN1
SCHEMBL6871842 0.88 SMN1; SMN2 (0.55) LMNAMCHR1ADRA2AGAAALDH1A1

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