SCHEMBL8540283

SCHEMBL8540283

COCC1(COC)Oc2ccc(C#N)cc2[C@@H](Nc2ccc(=S)n(C)n2)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.39
ABCC9 O60706 8/20 0.39

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
SCHEMBL8536420 0.89 ABCC9 (0.42) ABCB1ABCC9
Water SCHEMBL8539489 0.89 ABCC9 (0.42) ABCB1ABCC9
SCHEMBL8535237 0.89 ABCC9 (0.42) ABCB1ABCC9
SCHEMBL8536345 0.83 ABCC9 (0.40) ABCB1ABCC9
SCHEMBL8538266 0.83 ABCC9 (0.40) ABCB1ABCC9
SCHEMBL8537349 0.82 ABCC9 (0.41) ABCB1ABCC9
SCHEMBL8539533 0.82 ABCC9 (0.40) ABCB1ABCC9
SCHEMBL8535712 0.82 ABCC9 (0.41) ABCB1ABCC9
SCHEMBL8535817 0.82 ABCC9 (0.41) ABCB1ABCC9
SCHEMBL8536608 0.82 ABCC9 (0.41) 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 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