SCHEMBL19847992

SCHEMBL19847992

C=C(c1cc2c(cc1F)OCC(=O)N2)N1CCC(C(C)Oc2ccc(F)cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 12/20 0.53
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NR3C2 P08235 3/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ HPGD P15428 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
SCHEMBL19848056 0.93 NR3C2 (0.44) MGLLNR3C2NR3C1
SCHEMBL19833904 0.91 MGLL (0.57) MGLLALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL19833872 0.86 MGLL (0.51) MGLLNR3C2NR3C1
SCHEMBL19834174 0.83 MGLL (0.49) MGLLNR3C2NR3C1
SCHEMBL19847847 0.80 MGLL (0.62) MGLLTP53NR3C2
SCHEMBL22386265 0.79 MGLL (0.70) MGLLNR3C2
SCHEMBL19847923 0.78 MGLL (0.66) MGLLL3MBTL1NR3C2
SCHEMBL19833864 0.78 NR3C2 (0.45) MGLLMAPTNR3C2NR3C1
SCHEMBL19834105 0.78 MGLL (0.43) MGLLMAPTNR3C2NR3C1
SCHEMBL19848105 0.78 MAP3K5 (0.37) POLBTP53LMNAMAPTNR3C2

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-3279191-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
EP-3279191-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 — — EP disclosed
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