SCHEMBL30569178

SCHEMBL30569178

Cc1c(C(O)CN2CCc3nc(Nc4ccc(C#N)c(F)c4)ncc3C2)ccc2c1COC2=O

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 20/20 0.77
▸ KCNH2 Q12809 6/20 0.77

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
SCHEMBL19513100 1.00 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL19513099 0.87 KCNJ1 (0.58) KCNJ1KCNH2
SCHEMBL30569165 0.87 KCNJ1 (0.58) KCNJ1KCNH2
SCHEMBL20945401 0.87 KCNJ1 (0.68) KCNJ1KCNH2
SCHEMBL30569155 0.87 KCNJ1 (0.68) KCNJ1KCNH2
SCHEMBL16853059 0.87 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL31098389 0.87 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL30569153 0.87 KCNJ1 (0.57) KCNJ1KCNH2
SCHEMBL20945399 0.87 KCNJ1 (0.57) KCNJ1KCNH2
SCHEMBL19475764 0.86 KCNJ1 (0.65) KCNJ1KCNH2

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-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
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