SCHEMBL6917411

SCHEMBL6917411

Nc1ccc([C@@H]2O[C@H](CC(=O)O)CC[C@H]2N(CC2CCCC2)CC2CCCC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.31
DPEP1 P16444 1/20 0.31
EPHX2 P34913 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
SCHEMBL6918652 0.89 MDM2 (0.41) MDM2
SCHEMBL6917695 0.86 MGLL (0.35) DPEP1
SCHEMBL2316531 0.86 KMT2A (0.35) MDM2
SCHEMBL6917109 0.86 MGLL (0.35) DPEP1
SCHEMBL6917599 0.81 DGAT1 (0.40)
SCHEMBL2318758 0.81 MDM2 (0.47) MDM2EPHX2
SCHEMBL2317340 0.81 MDM2 (0.35) MDM2
SCHEMBL6918702 0.79 FFAR1 (0.40) EPHX2
SCHEMBL6917699 0.78 PSEN1 (0.40)
SCHEMBL13836534 0.75 MDM2 (0.38) MDM2EPHX2

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-2011092611-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-08-04 WO disclosed