SCHEMBL6867441

SCHEMBL6867441

COc1cc(CNC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.58
ACHE P22303 5/20 0.50
BCHE P06276 4/20 0.50
BACE1 P56817 3/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
APP P05067 2/20 0.46
KDM1A O60341 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6867434 1.00 MCHR1 (0.58) MCHR1ACHEBCHEBACE1KDM4E
SCHEMBL6877755 0.91 MCHR1 (0.55) MCHR1ACHEBCHEBACE1KDM4E
SCHEMBL6877736 0.91 MCHR1 (0.55) MCHR1ACHEBCHEBACE1KDM4E
SCHEMBL6867620 0.89 MCHR1 (0.49) MCHR1ACHEBCHEBACE1KDM4E
SCHEMBL6867626 0.89 MCHR1 (0.49) MCHR1ACHEBCHEBACE1KDM4E
SCHEMBL6866792 0.88 MCHR1 (0.58) MCHR1ACHEBCHEKDM4EALDH1A1
SCHEMBL6866791 0.88 MCHR1 (0.58) MCHR1ACHEBCHEKDM4EALDH1A1
SCHEMBL6873483 0.88 MCHR1 (0.54) MCHR1ACHEBCHEAPP
SCHEMBL6873479 0.88 MCHR1 (0.54) MCHR1ACHEBCHEAPP
SCHEMBL6868072 0.87 MCHR1 (0.51) MCHR1ACHEBCHEBACE1KDM4E

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