SCHEMBL30569171

SCHEMBL30569171

Cc1c(N2CCc3cc(NCc4ccc(C#N)c(F)c4)ccc3C2)ccc2c1COC2=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 18/20 0.55
▸ KCNH2 Q12809 4/20 0.48
▸ P2RX3 P56373 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL19475915 1.00 KCNJ1 (0.55) KCNJ1KCNH2P2RX3P2RX2PRMT5
SCHEMBL19512839 0.91 KCNJ1 (0.46) KCNJ1KCNH2P2RX3P2RX2
SCHEMBL20945405 0.76 KCNJ1 (0.72) KCNJ1KCNH2
SCHEMBL19475764 0.73 KCNJ1 (0.65) KCNJ1KCNH2
SCHEMBL20945425 0.72 KCNJ1 (0.47) KCNJ1KCNH2PRMT5WDR77
SCHEMBL19475679 0.72 KCNJ1 (0.58) KCNJ1KCNH2
SCHEMBL19475769 0.71 KCNJ1 (1.00) KCNJ1KCNH2PRMT5WDR77
SCHEMBL19475854 0.70 KCNJ1 (0.84) KCNJ1KCNH2
SCHEMBL19512840 0.69 ESR2 (0.50) KCNJ1
SCHEMBL14790616 0.67 KCNJ1 (0.60) 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 claimed
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