SCHEMBL20439674

SCHEMBL20439674

Cc1ccc(C)c(C(=O)N2C3CC[C@@H]2Cc2ccc(Br)cc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.36
MGLL Q99685 3/20 0.36
OPRM1 P35372 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 1/20 0.35
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.33
AKR1C3 P42330 1/20 0.32
HSP90AA1 P07900 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL20425562 1.00 SMN1; SMN2 (0.37) SMN1; SMN2TSHRMGLLOPRM1HCRTR1
SCHEMBL20425657 1.00 SMN1; SMN2 (0.37) SMN1; SMN2TSHRMGLLOPRM1HCRTR1
SCHEMBL20439675 0.90 SMN1; SMN2 (0.38) SMN1; SMN2TSHRMGLLOPRM1HCRTR1
SCHEMBL20425598 0.89 MGLL (0.40) MGLLOPRM1OPRD1OPRK1
SCHEMBL20440028 0.89 MGLL (0.40) MGLLOPRM1OPRD1OPRK1
SCHEMBL20425710 0.89 MGLL (0.40) MGLLOPRM1OPRD1OPRK1
SCHEMBL20425610 0.83 ALDH1A1 (0.42) TSHRMGLLOPRM1HCRTR2MAPT
SCHEMBL20440046 0.83 ALDH1A1 (0.42) TSHRMGLLOPRM1HCRTR2MAPT
SCHEMBL20425617 0.77 FAAH (0.39) OPRM1HCRTR2OPRD1OPRK1KMT2A
SCHEMBL20425572 0.77 FAAH (0.39) OPRM1HCRTR2OPRD1OPRK1KMT2A

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