SCHEMBL8540257

SCHEMBL8540257

CCn1cc(N[C@@H]2c3cc(C#N)ccc3OC(COC)(COC)[C@H]2O)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.41
ABCB1 P08183 11/20 0.40
KCNE1 P15382 3/20 0.36
KCNQ1 P51787 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KCND3 Q9UK17 1/20 0.36

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
SCHEMBL8540119 0.91 ABCC9 (0.39) ABCC9ABCB1
SCHEMBL8537451 0.89 ABCC9 (0.41) ABCC9ABCB1
SCHEMBL8542064 0.89 ABCB1 (0.41) ABCC9ABCB1
SCHEMBL8535488 0.87 ABCC9 (0.47) ABCC9ABCB1
SCHEMBL8537349 0.82 ABCC9 (0.41) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL8539815 0.81 ABCB1 (0.43) ABCC9ABCB1
SCHEMBL8535842 0.81 ABCC9 (0.43) ABCC9ABCB1
SCHEMBL8536420 0.80 ABCC9 (0.42) ABCC9ABCB1
Water SCHEMBL8539489 0.80 ABCC9 (0.42) ABCC9ABCB1
SCHEMBL8535237 0.80 ABCC9 (0.42) 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