SCHEMBL14276743

SCHEMBL14276743

Cc1cc(-c2cccnc2N2CCC(c3nc[nH]c3C)CC2)ccc1F

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 19/20 0.74
▸ SLC9A2 Q9UBY0 1/20 0.68
▸ QPCT Q16769 1/20 0.46
▸ QPCTL Q9NXS2 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
SCHEMBL14276901 0.91 SLC9A1 (0.61) SLC9A1SLC9A2QPCTQPCTL
SCHEMBL14276744 0.90 SLC9A1 (0.75) SLC9A1SLC9A2
SCHEMBL14276741 0.85 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276898 0.85 SLC9A1 (0.75) SLC9A1SLC9A2
SCHEMBL14276908 0.85 SLC9A1 (0.74) SLC9A1SLC9A2
SCHEMBL14307261 0.83 SLC9A1 (0.61) SLC9A1SLC9A2QPCTQPCTL
SCHEMBL14276900 0.82 SLC9A1 (0.58) SLC9A1SLC9A2
SCHEMBL14276906 0.81 SLC9A1 (0.73) SLC9A1SLC9A2
SCHEMBL14276897 0.81 SLC9A1 (0.76) SLC9A1SLC9A2
SCHEMBL30772134 0.81 SLC9A1 (1.00) 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
Send feedback