SCHEMBL8612374

SCHEMBL8612374

CC(=O)O[C@@H]1C(Nc2ccccc2)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 0.53
▸ ABCC9 O60706 7/20 0.53
▸ CYP3A4 P08684 1/20 0.49
▸ ALOX15 P16050 1/20 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
SCHEMBL8611166 1.00 ABCB1 (0.53) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL8615119 1.00 ABCB1 (0.53) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL8609664 0.90 ABCC9 (0.50) ABCB1ABCC9
SCHEMBL8613567 0.90 ABCC9 (0.59) ABCB1ABCC9
SCHEMBL8616337 0.88 ABCB1 (0.51) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9271120 0.88 ABCC9 (0.51) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9429622 0.88 ABCC9 (0.51) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9429629 0.88 ABCC9 (0.51) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9691273 0.86 ABCC9 (0.49) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL10887243 0.85 ABCC9 (0.61) 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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