SCHEMBL6875666

SCHEMBL6875666

CCOc1cccc(CN[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.54
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADRA2A P08913 1/20 0.38
MAOB P27338 1/20 0.38
HTR6 P50406 1/20 0.38
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL6875671 1.00 MCHR1 (0.54) MCHR1PRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL6876398 0.91 MCHR1 (0.56) MCHR1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6876391 0.91 MCHR1 (0.56) MCHR1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6876436 0.85 MCHR1 (0.52) MCHR1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL6876428 0.85 MCHR1 (0.52) MCHR1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL6866792 0.85 MCHR1 (0.58) MCHR1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL6866791 0.85 MCHR1 (0.58) MCHR1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL13793384 0.83 MCHR1 (0.55) MCHR1PRMT5WDR77ADRA2A
SCHEMBL6869089 0.83 MCHR1 (0.51) MCHR1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL6869085 0.83 MCHR1 (0.51) MCHR1ALDH1A1SMN1; SMN2LMNAKDM4E

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