SCHEMBL69691

SCHEMBL69691

O=C(NCC(=O)N1CCC(Oc2ccc(F)c(C(F)(F)F)c2)CC1)c1cn(-c2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.44
USP30 Q70CQ3 4/20 0.42
ACACB O00763 2/20 0.39
LIPE Q05469 2/20 0.39
SCN9A Q15858 1/20 0.37

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
SCHEMBL29381931 1.00 SCD (0.44) SCDUSP30ACACBLIPESCN9A
SCHEMBL84052 0.94 SCD (0.44) SCDUSP30LIPESCN9A
SCHEMBL70508 0.87 EPHX2 (0.49) SCDUSP30LIPE
SCHEMBL29384487 0.87 EPHX2 (0.49) SCDUSP30LIPE
SCHEMBL69698 0.86 SCD (0.59) SCDUSP30
SCHEMBL70183 0.86 USP30 (0.42) SCDUSP30LIPESCN9A
SCHEMBL29382319 0.84 USP30 (0.44) SCDUSP30
SCHEMBL69037 0.84 USP30 (0.44) SCDUSP30
SCHEMBL70477 0.81 SCD (0.46) SCDACACBLIPE
SCHEMBL29385049 0.81 SCD (0.46) SCDACACBLIPE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP claimed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed