SCHEMBL8088840

SCHEMBL8088840

CC1(C)Oc2ccc(C#N)cc2C(Oc2cc(O)ncn2)C1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.56
KDM4E B2RXH2 1/20 0.47
ABCB1 P08183 8/20 0.46
KCNE1 P15382 3/20 0.44
KCNQ1 P51787 3/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
KCND3 Q9UK17 1/20 0.44
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43

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
SCHEMBL7330523 0.85 ABCC9 (0.56) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL7269481 0.84 ABCC9 (0.56) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL7274240 0.84 ABCC9 (0.62) ABCC9KDM4EABCB1CYP3A4
SCHEMBL7323149 0.83 ABCC9 (0.56) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL7331710 0.81 ABCC9 (0.58) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL7360393 0.81 ABCC9 (0.58) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL7331034 0.81 ABCC9 (0.56) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL8084323 0.81 ABCC9 (0.56) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL7324385 0.80 ABCC9 (0.38) ABCC9KDM4EABCB1
SCHEMBL7333125 0.80 ABCC9 (0.56) ABCC9KDM4EABCB1KCNE1KCNQ1

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed