SCHEMBL20170664

SCHEMBL20170664

CCCCNC1C2CCC(=O)C[C@]23CC1(C)c1c(Br)cc(OC)c(O)c13

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL20170874 0.88 ALOX5 (0.33) GAAMEN1KMT2A
SCHEMBL20170666 0.87 GAA (0.37) GAAMEN1KMT2ASMN1; SMN2
SCHEMBL20170821 0.86 GAA (0.36) GAA
SCHEMBL20170756 0.84 TRPV1 (0.34) GAATRPV1
SCHEMBL20170707 0.76 GAA (0.35) GAAMEN1KMT2AUSP2LMNA
SCHEMBL20170718 0.75 GAA (0.36) GAASMN1; SMN2
SCHEMBL20170609 0.75 NR3C1 (0.33) GAA
SCHEMBL20170851 0.72 GAA (0.34) GAA
SCHEMBL20170840 0.72 GAA (0.41) GAATSHRSMN1; SMN2
SCHEMBL12945025 0.70 GAA (0.38) GAAMEN1KMT2AUSP2LMNA

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
EP-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed