SCHEMBL8612554

SCHEMBL8612554

CC1(C)Oc2ccc(C#N)cc2[C@H](Nc2nc(Cc3ccco3)co2)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 12/20 0.53
▸ ABCB1 P08183 7/20 0.51

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
SCHEMBL8613655 0.85 ABCB1 (0.50) ABCC9ABCB1
SCHEMBL9221558 0.81 ABCB1 (0.56) ABCC9ABCB1
SCHEMBL8612409 0.79 ABCB1 (0.72) ABCC9ABCB1
SCHEMBL27424805 0.79 ABCB1 (0.72) ABCC9ABCB1
SCHEMBL8612595 0.74 ABCB1 (0.49) ABCC9ABCB1
SCHEMBL9197746 0.73 ABCC9 (0.68) ABCC9ABCB1
SCHEMBL9197751 0.73 ABCC9 (0.68) ABCC9ABCB1
SCHEMBL9197759 0.73 ABCC9 (0.68) ABCC9ABCB1
SCHEMBL11027376 0.72 ABCB1 (0.70) ABCC9ABCB1
SCHEMBL10507344 0.72 ABCB1 (0.70) ABCC9ABCB1

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
US-5837702-A HAVING POTASSIUM CHANNEL ACTIVATING ACTIVITY USEFUL AS CARDIOVASCULAR AGENTS AND TREATMENT OF ISCHEMIA BRISTOL-MYERS SQUIBB CO. (US) 1998-11-17 — — US claimed
US-5837702-A HAVING POTASSIUM CHANNEL ACTIVATING ACTIVITY USEFUL AS CARDIOVASCULAR AGENTS AND TREATMENT OF ISCHEMIA BRISTOL-MYERS SQUIBB CO. (US) 1998-11-17 — — US disclosed
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