SCHEMBL14276871

SCHEMBL14276871

Cc1cc(-c2cnc(N3CCOCC3)nc2N2CCC(c3nc[nH]c3C)CC2)ccc1F

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 19/20 0.72
▸ SLC9A2 Q9UBY0 1/20 0.72
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL14276755 0.92 SLC9A1 (0.73) SLC9A1SLC9A2
SCHEMBL14276863 0.88 SLC9A1 (0.66) SLC9A1SLC9A2KDM4E
SCHEMBL14276866 0.87 SLC9A1 (0.61) SLC9A1SLC9A2
SCHEMBL14276862 0.86 SLC9A1 (0.68) SLC9A1SLC9A2KDM4E
SCHEMBL14276869 0.86 SLC9A1 (0.67) SLC9A1SLC9A2
SCHEMBL14276867 0.84 SLC9A1 (0.54) SLC9A1SLC9A2
SCHEMBL14276839 0.84 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL30772134 0.84 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL16588925 0.83 SLC9A1 (0.76) SLC9A1SLC9A2
SCHEMBL14276870 0.83 SLC9A1 (0.52) 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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