SCHEMBL27120641

SCHEMBL27120641

C=CC(CCC=O)N1CCc2ccc(CCCCCCCN(C)C)cc2C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.32
▸ SLC6A4 P31645 2/20 0.31
▸ KCNH2 Q12809 1/20 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
SCHEMBL27119471 0.92 SIGMAR1 (0.33) SIGMAR1SLC6A4KCNH2
SCHEMBL25993613 0.82 TLR7 (0.32) SIGMAR1SLC6A4KCNH2
SCHEMBL27120147 0.79 NPC1 (0.34) —
SCHEMBL27120437 0.76 CHRM1 (0.36) SIGMAR1SLC6A4KCNH2
SCHEMBL24692266 0.76 NR1H2 (0.37) —
SCHEMBL27117909 0.74 SIGMAR1 (0.32) SIGMAR1KCNH2
SCHEMBL27122483 0.74 SIGMAR1 (0.32) SIGMAR1KCNH2
SCHEMBL27123114 0.71 SIGMAR1 (0.33) SIGMAR1KCNH2
SCHEMBL27120133 0.69 SIGMAR1 (0.32) SIGMAR1KCNH2
SCHEMBL25993189 0.68 KCNH2 (0.41) SIGMAR1KCNH2

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
EP-4076650-B1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-28 — — EP disclosed
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