SCHEMBL8614204

SCHEMBL8614204

CC1(C)Oc2ccc(C#N)cc2[C@H](Nc2nccc(-c3ccc(F)cc3)n2)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 12/20 0.50
▸ ABCB1 P08183 7/20 0.49

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
SCHEMBL8617045 0.79 ABCB1 (0.59) ABCC9ABCB1
SCHEMBL7335897 0.77 ABCB1 (0.59) ABCC9ABCB1
SCHEMBL8613655 0.76 ABCB1 (0.50) ABCC9ABCB1
SCHEMBL13079601 0.75 ABCC9 (0.53) ABCC9ABCB1
SCHEMBL482215 0.75 ABCC9 (0.53) ABCC9ABCB1
SCHEMBL7333940 0.75 ABCB1 (0.56) ABCC9ABCB1
SCHEMBL3305829 0.73 ABCC9 (0.88) ABCC9ABCB1
SCHEMBL7479202 0.73 ABCC9 (0.88) ABCC9ABCB1
SCHEMBL7479207 0.73 ABCC9 (0.88) ABCC9ABCB1
SCHEMBL7481849 0.73 ABCC9 (0.88) 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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