SCHEMBL14276752

SCHEMBL14276752

COc1ncc(-c2ccc(F)c(Cl)c2)c(N2CCC(c3nc[nH]c3C)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 20/20 1.00
▸ SLC9A2 Q9UBY0 1/20 0.83

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
SCHEMBL14276835 0.92 SLC9A1 (0.85) SLC9A1SLC9A2
SCHEMBL30772134 0.91 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276839 0.91 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276848 0.91 SLC9A1 (0.84) SLC9A1SLC9A2
SCHEMBL14276893 0.90 SLC9A1 (0.82) SLC9A1SLC9A2
SCHEMBL14276830 0.89 SLC9A1 (0.80) SLC9A1SLC9A2
SCHEMBL14276883 0.88 SLC9A1 (0.78) SLC9A1SLC9A2
SCHEMBL14276832 0.87 SLC9A1 (0.77) SLC9A1SLC9A2
SCHEMBL14276754 0.87 SLC9A1 (0.77) SLC9A1SLC9A2
SCHEMBL14276755 0.84 SLC9A1 (0.73) SLC9A1SLC9A2

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
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 — — US disclosed
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 — — US disclosed
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