SCHEMBL8536345

SCHEMBL8536345

CCCn1nc(N[C@@H]2c3cc(C#N)ccc3OC(COC)(COC)[C@H]2O)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.40
ABCB1 P08183 10/20 0.38
KCNE1 P15382 3/20 0.37
KCNQ1 P51787 3/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
KCND3 Q9UK17 1/20 0.37

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
SCHEMBL8536316 0.94 ABCC9 (0.38) ABCC9ABCB1KCNE1KCNQ1MEN1
SCHEMBL8538266 0.93 ABCC9 (0.40) ABCC9ABCB1
SCHEMBL8537349 0.93 ABCC9 (0.41) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL8535712 0.93 ABCC9 (0.41) ABCC9ABCB1
SCHEMBL8539533 0.93 ABCC9 (0.40) ABCC9ABCB1
SCHEMBL8540184 0.92 ABCC9 (0.39) ABCC9ABCB1KCNE1KCNQ1MEN1
SCHEMBL8537477 0.91 ABCC9 (0.39) ABCC9ABCB1KCNE1KCNQ1MEN1
SCHEMBL8540011 0.91 ABCC9 (0.39) ABCC9ABCB1CYP1A2CYP2D6CYP2C19
SCHEMBL8538024 0.91 ABCB1 (0.40) ABCC9ABCB1
SCHEMBL8535817 0.91 ABCC9 (0.41) 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