SCHEMBL28045840

SCHEMBL28045840

Cc1ccc(CC2CCN(OC(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
FAAH O00519 1/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
CCR5 P51681 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL28010202 0.88 MEN1 (0.44) LMNAL3MBTL1
SCHEMBL27791259 0.88 CCR3 (0.45) LMNACCR5L3MBTL1
SCHEMBL5206103 0.86 OPRM1 (0.49) OPRM1FAAHKDM4ELMNAMAPT
SCHEMBL28045809 0.85 SLC2A1 (0.49) KDM4ECCR5
SCHEMBL27846335 0.83 CCR5 (0.51) CCR5
SCHEMBL27782129 0.81 ACHE (0.47)
SCHEMBL27841081 0.80 GABRP (0.40)
SCHEMBL27819618 0.80 SLC6A4 (0.38) KDM4ELMNA
SCHEMBL28198372 0.80 CCR3 (0.43) LMNA
SCHEMBL16113579 0.80 GPR119 (0.61) FAAHKDM4ELMNAMAPT

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
CN-105143222-A Glycosidase inhibitors MERCK PATENT GMBH 2015-12-09 CN disclosed