SCHEMBL30569167

SCHEMBL30569167

Cc1c(CCN2CCc3nc(Nc4ccc(C#N)c(F)c4)ncc3C2)ccc2c1COC2=O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 15/20 0.65
▸ KCNH2 Q12809 5/20 0.56
▸ MAPT P10636 2/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL20945421 1.00 KCNJ1 (0.65) KCNJ1KCNH2MAPTGRM5LMNA
SCHEMBL30569153 0.93 KCNJ1 (0.57) KCNJ1KCNH2MAPTGRM5LMNA
SCHEMBL20945399 0.93 KCNJ1 (0.57) KCNJ1KCNH2MAPTGRM5LMNA
SCHEMBL16852992 0.86 KCNJ1 (0.73) KCNJ1KCNH2
SCHEMBL30569178 0.85 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL19513100 0.85 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL30569165 0.82 KCNJ1 (0.58) KCNJ1KCNH2GRM5
SCHEMBL19513099 0.82 KCNJ1 (0.58) KCNJ1KCNH2GRM5
SCHEMBL16853002 0.82 KCNJ1 (0.72) KCNJ1KCNH2
SCHEMBL19512836 0.81 KCNJ1 (0.72) KCNJ1KCNH2MAPTGRM5LMNA

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