SCHEMBL30569204

SCHEMBL30569204

Cc1c(CN2CCc3cc(Nc4ccc5oc(=O)n(C)c5c4)ccc3C2)ccc2c1COC2=O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 20/20 0.46
▸ KCNH2 Q12809 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
SCHEMBL19475689 1.00 KCNJ1 (0.46) KCNJ1KCNH2
SCHEMBL30569166 0.85 MAPT (0.51) KCNJ1
SCHEMBL19475649 0.85 MAPT (0.51) KCNJ1
SCHEMBL20945405 0.79 KCNJ1 (0.72) KCNJ1KCNH2
SCHEMBL26221977 0.79 TP53 (0.35) KCNJ1
SCHEMBL19475675 0.76 KCNJ1 (0.51) KCNJ1KCNH2
SCHEMBL19475749 0.76 KCNJ1 (0.43) KCNJ1KCNH2
SCHEMBL20945398 0.75 KCNJ1 (0.55) KCNJ1KCNH2
SCHEMBL30569158 0.75 KCNJ1 (0.55) KCNJ1KCNH2
SCHEMBL19475690 0.72 KCNJ1 (0.66) 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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