SCHEMBL6875375

SCHEMBL6875375

CCc1ccccc1CNC[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.48
ADRA2A P08913 8/20 0.46
NPY5R Q15761 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 3/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
ACHE P22303 2/20 0.36

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
SCHEMBL6875379 1.00 MCHR1 (0.48) MCHR1ADRA2ANPY5RSMN1; SMN2KDM4E
SCHEMBL6868742 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RSMN1; SMN2KDM4E
SCHEMBL6868739 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RSMN1; SMN2KDM4E
SCHEMBL6877871 0.88 NPY5R (0.48) MCHR1ADRA2ANPY5RSMN1; SMN2KDM4E
SCHEMBL6880013 0.88 MCHR1 (0.49) MCHR1ADRA2ANPY5RSMN1; SMN2KDM4E
SCHEMBL6456819 0.88 MCHR1 (0.49) MCHR1ADRA2ANPY5RSMN1; SMN2KDM4E
SCHEMBL6880806 0.87 MCHR1 (0.45) MCHR1ADRA2ANPY5RSMN1; SMN2KDM4E
SCHEMBL6880801 0.87 MCHR1 (0.45) MCHR1ADRA2ANPY5RSMN1; SMN2KDM4E
SCHEMBL6877956 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RSMN1; SMN2KDM4E
SCHEMBL6877961 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RSMN1; SMN2KDM4E

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