SCHEMBL6874202

SCHEMBL6874202

COc1cc(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc(Br)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.46
ADRA2A P08913 4/20 0.44
NPY5R Q15761 4/20 0.44
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 3/20 0.40
APP P05067 2/20 0.40
BCHE P06276 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6874206 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RLMNAMEN1
SCHEMBL6867626 0.94 MCHR1 (0.49) MCHR1ADRA2ANPY5RLMNAACHE
SCHEMBL6867620 0.94 MCHR1 (0.49) MCHR1ADRA2ANPY5RLMNAACHE
SCHEMBL6880677 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RLMNAMEN1
SCHEMBL6880690 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RLMNAMEN1
SCHEMBL6873706 0.87 ACHE (0.54) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6873700 0.87 ACHE (0.54) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6878143 0.86 MCHR1 (0.44) MCHR1ADRA2ANPY5RLMNAMEN1
SCHEMBL6878154 0.86 MCHR1 (0.44) MCHR1ADRA2ANPY5RLMNAMEN1
SCHEMBL6466000 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RLMNAACHE

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