SCHEMBL8809592

SCHEMBL8809592

CN1CCN([C@H]2c3cc(S(=O)(=O)C(F)(F)F)ccc3OC(C)(C)[C@@H]2O)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 12/20 0.46
▸ ABCC8 Q09428 2/20 0.46
▸ KCNJ11 Q14654 2/20 0.46
▸ KCNJ8 Q15842 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNE1 P15382 3/20 0.33
▸ KCNQ1 P51787 3/20 0.33
▸ PDE4A P27815 1/20 0.33

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
SCHEMBL9742770 1.00 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9742775 1.00 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9742590 0.88 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9742594 0.88 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9740554 0.86 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9740560 0.86 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8810601 0.86 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9742755 0.86 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8808609 0.86 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8807495 0.86 ABCC9 (0.63) 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-0350805-B1 Benzopyran derivatives, processes for their preparation and their use and preparations containing the compounds BEIERSDORF LILLY GMBH (DE) 1997-04-16 — — EP disclosed
US-5096914-A Hypotensive agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1992-03-17 — — US disclosed
US-5028711-A Hypotensive Agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1991-07-02 — — US disclosed
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