SCHEMBL8614850

SCHEMBL8614850

CC1(C)Oc2ccc(C#N)cc2[C@@H](Nc2nc(-c3ccccc3)cs2)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.56
ABCB1 P08183 8/20 0.56

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
SCHEMBL8614854 1.00 ABCC9 (0.56) ABCC9ABCB1
SCHEMBL8612715 1.00 ABCC9 (0.56) ABCC9ABCB1
SCHEMBL8612720 1.00 ABCC9 (0.56) ABCC9ABCB1
SCHEMBL8612163 0.85 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL8612166 0.85 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL10507344 0.79 ABCB1 (0.70) ABCC9ABCB1
SCHEMBL11027377 0.79 ABCB1 (0.70) ABCC9ABCB1
SCHEMBL11027376 0.79 ABCB1 (0.70) ABCC9ABCB1
SCHEMBL10507350 0.79 ABCB1 (0.70) ABCC9ABCB1
SCHEMBL13080434 0.75 ABCC9 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP 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
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP disclosed