SCHEMBL9740725

SCHEMBL9740725

CC1(C)Oc2ccc(S(=O)(=O)C(F)F)cc2[C@@H](N2CCN(Cc3ccccc3)CC2=O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.49
▸ ABCC9 O60706 9/20 0.42
▸ ABCC8 Q09428 2/20 0.41
▸ KCNJ11 Q14654 2/20 0.41
▸ KCNJ8 Q15842 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KCNA5 P22460 6/20 0.39
▸ KCNE1 P15382 1/20 0.35
▸ KCNQ1 P51787 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL8810350 1.00 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9740724 1.00 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8812062 0.88 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9742758 0.88 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9742760 0.88 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9741975 0.87 ABCC9 (0.43) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8811448 0.87 ABCC9 (0.43) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9741974 0.87 ABCC9 (0.43) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8808623 0.85 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9742233 0.85 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8

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-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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