SCHEMBL6876391

SCHEMBL6876391

COc1cccc(CN[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.56
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAOB P27338 3/20 0.46
HTR6 P50406 2/20 0.46
APP P05067 1/20 0.45
KDM1A O60341 2/20 0.43

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
SCHEMBL6876398 1.00 MCHR1 (0.56) MCHR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL6866792 0.92 MCHR1 (0.58) MCHR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL6866791 0.92 MCHR1 (0.58) MCHR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL6875671 0.91 MCHR1 (0.54) MCHR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL6875666 0.91 MCHR1 (0.54) MCHR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL6868219 0.85 SIGMAR1 (0.54) MCHR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL6868225 0.85 SIGMAR1 (0.54) MCHR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL6874473 0.85 MCHR1 (0.50) MCHR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL6877772 0.85 MCHR1 (0.50) MCHR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL6877776 0.85 MCHR1 (0.50) MCHR1ALDH1A1MEN1KMT2AUSP2

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