SCHEMBL14276734

SCHEMBL14276734

Cc1cccc(-c2cncnc2N2CCC(c3nc[nH]c3C)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 19/20 1.00
▸ SLC9A2 Q9UBY0 1/20 0.52
▸ STK4 Q13043 1/20 0.46
▸ STK3 Q13188 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46

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
SCHEMBL14276812 0.90 SLC9A1 (1.00) SLC9A1SLC9A2STK4STK3LRRK2
SCHEMBL14276742 0.89 SLC9A1 (1.00) SLC9A1SLC9A2STK3
SCHEMBL14276738 0.88 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276818 0.88 SLC9A1 (0.78) SLC9A1SLC9A2LRRK2
SCHEMBL14276817 0.88 SLC9A1 (0.78) SLC9A1SLC9A2
SCHEMBL14276737 0.88 SLC9A1 (0.78) SLC9A1SLC9A2
SCHEMBL14276728 0.87 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276735 0.87 SLC9A1 (0.83) SLC9A1SLC9A2
SCHEMBL14276820 0.86 SLC9A1 (0.78) SLC9A1SLC9A2
SCHEMBL14276814 0.86 SLC9A1 (0.75) 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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