SCHEMBL6874201

SCHEMBL6874201

COc1ccc(CNC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.45
MCHR1 Q99705 2/20 0.45
TSHR P16473 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.39
TACR1 P25103 3/20 0.39
APLNR P35414 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6874187 1.00 ADRA2A (0.45) ADRA2AMCHR1TSHRKMT2AMEN1
SCHEMBL6459434 0.93 MCHR1 (0.41) ADRA2AMCHR1TSHRKMT2AMEN1
SCHEMBL6875761 0.93 MCHR1 (0.41) ADRA2AMCHR1TSHRKMT2AMEN1
SCHEMBL6867249 0.89 MCHR1 (0.48) ADRA2AMCHR1TSHRKMT2AMEN1
SCHEMBL6867254 0.89 MCHR1 (0.48) ADRA2AMCHR1TSHRKMT2AMEN1
SCHEMBL6873962 0.89 ADRA2A (0.45) ADRA2AMCHR1KMT2AMEN1KDM4E
SCHEMBL6873966 0.89 ADRA2A (0.45) ADRA2AMCHR1KMT2AMEN1KDM4E
SCHEMBL6876322 0.86 ADRA2A (0.42) ADRA2AMCHR1KMT2AMEN1MAPT
SCHEMBL6876315 0.86 ADRA2A (0.42) ADRA2AMCHR1KMT2AMEN1MAPT
SCHEMBL6460350 0.84 ADRA2A (0.48) ADRA2AMCHR1C5AR1CYP1A2CYP3A4

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