SCHEMBL30569203

SCHEMBL30569203

Cc1c(C(CO)N2CCc3nc(-n4cc(C#N)c5ccccc54)ncc3C2)ccc2c1COC2=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 20/20 0.78
▸ KCNH2 Q12809 2/20 0.48

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
SCHEMBL19475753 1.00 KCNJ1 (0.78) KCNJ1KCNH2
SCHEMBL30569180 0.87 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL19475687 0.87 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL19475704 0.84 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL30569174 0.84 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL19475715 0.83 KCNJ1 (0.56) KCNJ1KCNH2
SCHEMBL30569194 0.83 KCNJ1 (0.56) KCNJ1KCNH2
SCHEMBL19513097 0.81 KCNJ1 (0.88) KCNJ1KCNH2
SCHEMBL19475771 0.78 KCNJ1 (0.86) KCNJ1KCNH2
SCHEMBL30569196 0.78 KCNJ1 (1.00) 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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