SCHEMBL6878174

SCHEMBL6878174

COc1cc(CCNC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
ADRA2A P08913 1/20 0.43
ACHE P22303 9/20 0.42
BCHE P06276 7/20 0.42
CNR1 P21554 1/20 0.40
KCNH2 Q12809 1/20 0.40
AURKB Q96GD4 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APP P05067 1/20 0.35
KMT2A Q03164 1/20 0.35
CALM1 P0DP23 1/20 0.34

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
SCHEMBL6466543 1.00 MCHR1 (0.43) MCHR1ADRA2AACHEBCHECNR1
SCHEMBL6873997 0.90 ALDH1A1 (0.51) MCHR1ADRA2AACHEBCHECNR1
SCHEMBL6462936 0.90 ALDH1A1 (0.51) MCHR1ADRA2AACHEBCHECNR1
SCHEMBL6868411 0.83 MCHR1 (0.39) MCHR1ADRA2AACHEBCHEALDH1A1
SCHEMBL6868414 0.83 MCHR1 (0.39) MCHR1ADRA2AACHEBCHEALDH1A1
SCHEMBL6876352 0.83 MCHR1 (0.50) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6463847 0.83 MCHR1 (0.42) MCHR1ADRA2AACHEBCHECNR1
SCHEMBL6879122 0.83 MCHR1 (0.42) MCHR1ADRA2AACHEBCHECNR1
SCHEMBL6876346 0.83 MCHR1 (0.50) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6879219 0.83 ALDH1A1 (0.55) MCHR1ADRA2AACHEBCHETSHR

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