SCHEMBL20439779

SCHEMBL20439779

O=C(c1ccccc1)N1C2CC[C@@H]1Cc1ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
FFAR2 O15552 7/20 0.39
L3MBTL3 Q96JM7 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
OPRM1 P35372 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CACNA1H O95180 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL20425597 1.00 FAAH (0.39) FAAHFFAR2L3MBTL3L3MBTL1MAOA
SCHEMBL20425572 1.00 FAAH (0.39) FAAHFFAR2L3MBTL3L3MBTL1MAOA
SCHEMBL20425617 1.00 FAAH (0.39) FAAHFFAR2L3MBTL3L3MBTL1MAOA
SCHEMBL20439781 0.88 MAOA (0.38) FAAHL3MBTL3L3MBTL1MAOAMAOB
SCHEMBL20425562 0.77 SMN1; SMN2 (0.37) KMT2AOPRM1OPRD1OPRK1HCRTR2
SCHEMBL20439674 0.77 SMN1; SMN2 (0.37) KMT2AOPRM1OPRD1OPRK1HCRTR2
SCHEMBL20425776 0.76 P4HB (0.40) FFAR2
SCHEMBL20425643 0.76 OPRM1 (0.40) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL20425598 0.76 MGLL (0.40) OPRM1OPRD1OPRK1
SCHEMBL20440028 0.76 MGLL (0.40) OPRM1OPRD1OPRK1

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-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed