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Sugi Predict / Compounds / SCHEMBL13624887

SCHEMBL13624887

SCHEMBL13624887

Cc1ccc([C@H](C)N2CC[C@](CCC(=O)O)(c3ccccc3)OC2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 20/20 0.69
▸ CYP3A4 P08684 7/20 0.67
▸ CYP2C9 P11712 6/20 0.67
▸ CYP2C19 P33261 3/20 0.67
▸ KCNH2 Q12809 1/20 0.58

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
SCHEMBL956644 0.92 HSD11B1 (0.82) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL956647 0.92 HSD11B1 (0.82) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL956646 0.92 HSD11B1 (0.82) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL734968 0.91 HSD11B1 (0.72) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL1403712 0.91 HSD11B1 (0.72) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL1403713 0.91 HSD11B1 (0.72) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL955606 0.88 HSD11B1 (0.86) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL955610 0.88 HSD11B1 (0.86) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL955608 0.88 HSD11B1 (0.86) HSD11B1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL957655 0.88 HSD11B1 (0.79) HSD11B1CYP3A4CYP2C9CYP2C19

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
WO-2009134400-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed