SCHEMBL1904285

SCHEMBL1904285

Cn1cc(-c2cncnc2)c2oc(-c3ccc(C4(N(C(=O)O)C(C)(C)C)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.32
OPRM1 P35372 1/20 0.31
LCK P06239 1/20 0.31
TNK2 Q07912 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
PADI4 Q9UM07 1/20 0.30
USP19 O94966 1/20 0.30

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
SCHEMBL1905091 0.87
SCHEMBL1903884 0.86 AKT2 (0.33) OPRL1OPRM1
SCHEMBL1908487 0.84 AKT1 (0.35) OPRL1OPRM1TNK2
SCHEMBL1906949 0.82 AKT1 (0.45)
SCHEMBL1907528 0.82 BACE1 (0.34) OPRL1OPRM1BACE1BACE2PADI4
SCHEMBL1907424 0.81 MEN1 (0.31) LCKTNK2
SCHEMBL1904227 0.81 LCK (0.30) LCKTNK2
SCHEMBL1902498 0.81 OPRM1 (0.36) OPRL1OPRM1USP19
SCHEMBL1903889 0.79 KDM4E (0.30) OPRM1
SCHEMBL1907422 0.78 KDM4E (0.30) OPRM1

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-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO disclosed