SCHEMBL9735555

SCHEMBL9735555

COCC1(C)Oc2ccc(C#N)cc2C(N2CCCC2=O)C1O

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.76
ABCC8 Q09428 2/20 0.76
KCNJ11 Q14654 2/20 0.76
KCNJ8 Q15842 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
LMNA P02545 1/20 0.76
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ABCB1 P08183 10/20 0.44

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
Levcromakalim SCHEMBL30059152 0.87 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
(-)-Cromakalim SCHEMBL3771007 0.87 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Cromakalim SCHEMBL30110320 0.87 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
(-)-Cromakalim SCHEMBL24658941 0.87 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Cromakalim SCHEMBL3312760 0.87 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
(-)-Cromakalim SCHEMBL25029865 0.87 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
(-)-Cromakalim SCHEMBL10644663 0.87 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
(-)-Cromakalim SCHEMBL29345689 0.87 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
(-)-Cromakalim SCHEMBL12833 0.87 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Levcromakalim SCHEMBL122344 0.87 ABCC9 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed