SCHEMBL8535488

SCHEMBL8535488

COCC1(COC)Oc2ccc(C#N)cc2[C@@H](Nc2ccc(C#N)cc2)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.47
ABCB1 P08183 11/20 0.46

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
SCHEMBL8539815 0.94 ABCB1 (0.43) ABCC9ABCB1
SCHEMBL8538433 0.92 ABCB1 (0.45) ABCC9ABCB1
SCHEMBL8537725 0.88 ABCB1 (0.41) ABCC9ABCB1
SCHEMBL8535842 0.87 ABCC9 (0.43) ABCC9ABCB1
SCHEMBL8540257 0.87 ABCC9 (0.41) ABCC9ABCB1
SCHEMBL8537451 0.86 ABCC9 (0.41) ABCC9ABCB1
SCHEMBL8537478 0.86 ABCC9 (0.43) ABCC9ABCB1
SCHEMBL8535756 0.85 ABCB1 (0.45) ABCC9ABCB1
SCHEMBL9236832 0.84 ABCB1 (0.41) ABCC9ABCB1
SCHEMBL8535699 0.84 ABCB1 (0.47) 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-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP claimed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed