SCHEMBL8617045

SCHEMBL8617045

CC1(C)Oc2ccc(C#N)cc2[C@H](NCc2cc(-c3ccc(F)cc3)ccn2)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 8/20 0.59
▸ ABCC9 O60706 11/20 0.48

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
SCHEMBL8611322 0.81 ABCB1 (0.57) ABCB1ABCC9
SCHEMBL8615681 0.81 ABCB1 (0.57) ABCB1ABCC9
SCHEMBL8614204 0.79 ABCC9 (0.50) ABCB1ABCC9
SCHEMBL5868271 0.77 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL5868275 0.77 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL6281202 0.77 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL9393948 0.76 ABCB1 (0.79) ABCB1ABCC9
SCHEMBL7476856 0.76 ABCB1 (0.65) ABCB1ABCC9
SCHEMBL7476866 0.76 ABCB1 (0.65) ABCB1ABCC9
SCHEMBL7476861 0.76 ABCB1 (0.65) ABCB1ABCC9

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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