SCHEMBL7359526

SCHEMBL7359526

Cn1nc(O[C@H]2c3cc(C#N)ccc3OC(C)(C)[C@@H]2O)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.53
ABCC8 Q09428 2/20 0.48
KCNJ11 Q14654 2/20 0.48
KCNJ8 Q15842 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
KCNE1 P15382 3/20 0.45
KCNQ1 P51787 3/20 0.45
ABCB1 P08183 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
KCND3 Q9UK17 1/20 0.45

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
SCHEMBL7869407 1.00 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL5578941 1.00 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL4256349 1.00 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9735341 0.88 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7331259 0.87 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7386321 0.87 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8137850 0.87 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8137849 0.87 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8137847 0.87 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8536527 0.86 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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 4 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
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed