SCHEMBL4749447

SCHEMBL4749447

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C(=O)N2CCC[C@H]2CN(C)C)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
MGLL Q99685 8/20 0.35
OPRK1 P41145 6/20 0.35
OPRD1 P41143 5/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 2/20 0.34
OPRM1 P35372 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33

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
SCHEMBL4749494 1.00 BCHE (0.36) BCHEMGLLOPRK1OPRD1MAPT
SCHEMBL4749427 1.00 BCHE (0.36) BCHEMGLLOPRK1OPRD1MAPT
SCHEMBL4751374 0.89 BCHE (0.32) BCHEOPRK1OPRD1
SCHEMBL4752894 0.81 MGLL (0.34) MGLLOPRK1OPRD1
SCHEMBL4021758 0.81 MGLL (0.36) BCHEMGLLOPRK1OPRD1OPRM1
SCHEMBL4021764 0.81 MGLL (0.36) BCHEMGLLOPRK1OPRD1OPRM1
SCHEMBL4752896 0.81 MGLL (0.34) MGLLOPRK1OPRD1
SCHEMBL4787104 0.79 HRH4 (0.37) MGLL
SCHEMBL4752082 0.79 HRH4 (0.37) MGLL
SCHEMBL4752185 0.79 RAB9A (0.37) BCHEMGLLRAB9A

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed