SCHEMBL6878043

SCHEMBL6878043

CCOc1ccccc1CN[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
ADRA2A P08913 1/20 0.43
MCHR1 Q99705 1/20 0.43
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK14 Q16539 1/20 0.37
MEN1 O00255 1/20 0.37
ABL1 P00519 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
RIN1 Q13671 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6462999 0.88 MCHR1 (0.46) SLC2A1ADRA2AMCHR1ALDH1A1KDM4E
SCHEMBL6875398 0.88 MCHR1 (0.46) SLC2A1ADRA2AMCHR1ALDH1A1KDM4E
SCHEMBL6867944 0.83 ADRA2A (0.42) ADRA2AMCHR1TACR1ALDH1A1KDM4E
SCHEMBL6867978 0.83 ADRA2A (0.42) ADRA2AMCHR1TACR1ALDH1A1KDM4E
SCHEMBL6877439 0.82 ACHE (0.42) ADRA2AMCHR1ALDH1A1KDM4EMEN1
SCHEMBL6869183 0.82 KDM1A (0.44) SLC2A1ADRA2AMCHR1KDM4EMAPT
SCHEMBL6877433 0.82 ACHE (0.42) ADRA2AMCHR1ALDH1A1KDM4EMEN1
SCHEMBL6869175 0.82 KDM1A (0.44) SLC2A1ADRA2AMCHR1KDM4EMAPT
SCHEMBL6879311 0.81 MAPK8 (0.43) ADRA2AMCHR1CDK1CDK4CCND1
SCHEMBL6879316 0.81 MAPK8 (0.43) ADRA2AMCHR1CDK1CDK4CCND1

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