SCHEMBL25916218

SCHEMBL25916218

O=C(N1CCC(c2nnc(C3(O)CC3)[nH]2)CC1)N1CC2(CCC(Cc3ncc(F)cc3F)CC2)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.32
▸ APLNR P35414 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ SPR P35270 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30
▸ PARP1 P09874 2/20 0.30

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
SCHEMBL25325690 0.92 MGLL (0.33) MGLL
SCHEMBL30553190 0.92 MGLL (0.33) MGLL
SCHEMBL30553185 0.86 MGLL (0.36) ADRA2CMGLLSPR
SCHEMBL25325185 0.86 MGLL (0.36) ADRA2CMGLLSPR
SCHEMBL25323768 0.84 MGLL (0.35) ADRA2CMGLLSPRPARP1
SCHEMBL25324553 0.80 MGLL (0.36) ADRA2CMGLLSPR
SCHEMBL25328437 0.80 MGLL (0.36) ADRA2CMGLLSPR
SCHEMBL25326102 0.80 MGLL (0.36) ADRA2CMGLLSPR
SCHEMBL25325214 0.79 MGLL (0.34) MGLL
SCHEMBL30553259 0.79 MGLL (0.34) MGLL

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-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
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