SCHEMBL6869110

SCHEMBL6869110

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3cccc(OCc4ccccc4)c3)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.38
MCHR1 Q99705 7/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
F10 P00742 3/20 0.38
MAPKAPK2 P49137 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL6869114 1.00 ADRA2A (0.38) ADRA2AMCHR1MEN1KMT2AMAPK1
SCHEMBL6868701 0.88 LMNA (0.45) ADRA2AMCHR1MEN1KMT2ARAB9A
SCHEMBL6868693 0.88 LMNA (0.45) ADRA2AMCHR1MEN1KMT2ARAB9A
SCHEMBL6875125 0.86 SMN1; SMN2 (0.42) ADRA2AMCHR1MEN1KMT2ARAB9A
SCHEMBL6875121 0.86 SMN1; SMN2 (0.42) ADRA2AMCHR1MEN1KMT2ARAB9A
SCHEMBL6878621 0.86 SMN1; SMN2 (0.45) ADRA2AMCHR1MEN1KMT2AMAPK1
SCHEMBL6878625 0.86 SMN1; SMN2 (0.45) ADRA2AMCHR1MEN1KMT2AMAPK1
SCHEMBL6876262 0.83 SMN1; SMN2 (0.55) ADRA2AMCHR1MEN1KMT2AMAPK1
SCHEMBL6871842 0.83 SMN1; SMN2 (0.55) ADRA2AMCHR1MEN1KMT2ARAB9A
SCHEMBL6871841 0.83 SMN1; SMN2 (0.55) ADRA2AMCHR1MEN1KMT2ARAB9A

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