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SCHEMBL21496274

SCHEMBL21496274

CC(C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3ccc(F)c(Cl)c3)(C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 16/20 1.00
▸ KCNQ3 O43525 1/20 0.45
▸ KCNQ2 O43526 1/20 0.45
▸ KCNE1 P15382 1/20 0.45
▸ KCNQ1 P51787 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL24118299 1.00 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL30055286 1.00 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21496273 1.00 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24118294 0.93 IDO1 (0.86) IDO1
SCHEMBL30056153 0.93 IDO1 (0.86) IDO1
SCHEMBL21496396 0.92 IDO1 (0.85) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21496398 0.92 IDO1 (0.85) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24117927 0.91 IDO1 (0.83) IDO1SMN1; SMN2
SCHEMBL24118298 0.91 IDO1 (0.83) IDO1SMN1; SMN2
SCHEMBL21496471 0.91 IDO1 (0.83) IDO1SMN1; SMN2

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-3781142-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp&Dohme Corp. (US) 2021-02-24 — — EP claimed
WO-2019204180-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-10-24 — — WO claimed
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