SCHEMBL6878649

SCHEMBL6878649

COc1ccc(CC(=O)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
APP P05067 3/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ADRA2A P08913 1/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
CTSD P07339 7/20 0.42
LMNA P02545 2/20 0.41
EPHX1 P07099 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6878654 1.00 SIGMAR1 (0.47) SIGMAR1APPALDH1A1MAPK1SMN1; SMN2
SCHEMBL6878087 0.91 SIGMAR1 (0.47) SIGMAR1APPALDH1A1MAPK1ADRA2A
SCHEMBL6878081 0.91 SIGMAR1 (0.47) SIGMAR1APPALDH1A1MAPK1ADRA2A
SCHEMBL6456953 0.91 MCHR1 (0.41) SIGMAR1APPSMN1; SMN2ADRA2AMCHR1
SCHEMBL6456938 0.91 MCHR1 (0.41) SIGMAR1APPSMN1; SMN2ADRA2AMCHR1
SCHEMBL6457880 0.88 EPHX2 (0.55) SIGMAR1APPALDH1A1SMN1; SMN2ADRA2A
SCHEMBL6457869 0.88 EPHX2 (0.55) SIGMAR1APPALDH1A1SMN1; SMN2ADRA2A
SCHEMBL6456764 0.88 POLB (0.48) SIGMAR1ALDH1A1SMN1; SMN2ADRA2AMCHR1
SCHEMBL6456777 0.88 POLB (0.48) SIGMAR1ALDH1A1SMN1; SMN2ADRA2AMCHR1
SCHEMBL6876352 0.87 MCHR1 (0.50) SIGMAR1APPADRA2AMCHR1KMT2A

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