SCHEMBL7823676

SCHEMBL7823676

COc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)[C@H](N2CCCCC2=O)[C@@H](O)C(C)(C)O3)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.49
▸ ABCC8 Q09428 2/20 0.49
▸ KCNJ11 Q14654 2/20 0.49
▸ KCNJ8 Q15842 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KCNA5 P22460 2/20 0.37
▸ PGR P06401 1/20 0.36
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7825496 1.00 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7825500 1.00 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7823905 0.91 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7823896 0.91 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7823899 0.91 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7821028 0.89 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7823229 0.89 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7821027 0.89 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7823779 0.87 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7827623 0.87 ABCC9 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828733-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 2001-09-05 — — EP claimed
EP-0828733-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 2001-09-05 — — EP disclosed
US-5905156-A POTASSIUM CHANNEL ACTIVATORS AND BRONCHODILATORS NOVARTIS AG (CH) 1999-05-18 — — US disclosed
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