SCHEMBL6877202

SCHEMBL6877202

COc1cc(CCN[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.49
ADRA2A P08913 1/20 0.47
ACHE P22303 6/20 0.44
BCHE P06276 5/20 0.44
APP P05067 3/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6877209 1.00 MCHR1 (0.49) MCHR1ADRA2AACHEBCHEAPP
SCHEMBL6866792 0.90 MCHR1 (0.58) MCHR1ADRA2AACHEBCHEAPP
SCHEMBL6866791 0.90 MCHR1 (0.58) MCHR1ADRA2AACHEBCHEAPP
SCHEMBL6876398 0.85 MCHR1 (0.56) MCHR1APPLMNASMN1; SMN2MEN1
SCHEMBL6876391 0.85 MCHR1 (0.56) MCHR1APPLMNASMN1; SMN2MEN1
SCHEMBL6874171 0.84 MCHR1 (0.51) MCHR1ADRA2AACHEBCHEAPP
SCHEMBL6874173 0.84 MCHR1 (0.51) MCHR1ADRA2AACHEBCHEAPP
SCHEMBL6873484 0.83 MCHR1 (0.48) MCHR1ADRA2AACHEBCHEAPP
SCHEMBL6874033 0.83 MCHR1 (0.54) MCHR1ADRA2ASMN1; SMN2
SCHEMBL6874036 0.83 MCHR1 (0.54) MCHR1ADRA2ASMN1; SMN2

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