SCHEMBL7276205

SCHEMBL7276205

CC1(C)Oc2ccc(C#N)cc2C(n2cc(Cl)c(=O)c(Cl)c2)C1O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 14/20 0.62
ABCC8 Q09428 2/20 0.60
KCNJ11 Q14654 2/20 0.60
KCNJ8 Q15842 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 1/20 0.60
ABCB1 P08183 3/20 0.56
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL10934715 0.83 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7274309 0.83 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8088755 0.82 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8077320 0.82 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8077265 0.81 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8090471 0.81 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8077163 0.80 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8088422 0.80 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9518186 0.79 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9518432 0.79 ABCC9 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346724-A1 Chroman derivates MERCK PATENT GmbH (DE) 1989-12-20 EP disclosed