SCHEMBL6867532

SCHEMBL6867532

Cc1ccc(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPY5R Q15761 4/20 0.42
ADRA2A P08913 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR4 P61073 1/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
VCP P55072 1/20 0.38
APP P05067 3/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL6867536 1.00 MCHR1 (0.50) MCHR1SMN1; SMN2LMNAKDM4ENPY5R
SCHEMBL6877036 0.92 MCHR1 (0.50) MCHR1SMN1; SMN2LMNAKDM4ENPY5R
SCHEMBL6877043 0.92 MCHR1 (0.50) MCHR1SMN1; SMN2LMNAKDM4ENPY5R
SCHEMBL6873125 0.91 MCHR1 (0.49) MCHR1SMN1; SMN2LMNAKDM4ENPY5R
SCHEMBL6873131 0.91 MCHR1 (0.49) MCHR1SMN1; SMN2LMNAKDM4ENPY5R
SCHEMBL6874877 0.90 MCHR1 (0.49) MCHR1SMN1; SMN2LMNAKDM4ENPY5R
SCHEMBL6874880 0.90 MCHR1 (0.49) MCHR1SMN1; SMN2LMNAKDM4ENPY5R
SCHEMBL6877690 0.90 MCHR1 (0.48) MCHR1SMN1; SMN2LMNAKDM4ENPY5R
SCHEMBL6877696 0.90 MCHR1 (0.48) MCHR1SMN1; SMN2LMNAKDM4ENPY5R
SCHEMBL6875473 0.89 MCHR1 (0.47) MCHR1SMN1; SMN2LMNAKDM4ENPY5R

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