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Sugi Predict / Compounds / SCHEMBL17120318

SCHEMBL17120318

SCHEMBL17120318

CC(c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 20/20 1.00
▸ CYP3A4 P08684 12/20 1.00
▸ CYP2C9 P11712 6/20 1.00
▸ CYP2C19 P33261 3/20 1.00
▸ HSD3B2 P26439 1/20 0.81

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
SCHEMBL958323 1.00 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2
SCHEMBL957735 1.00 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2
SCHEMBL3644713 1.00 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2
SCHEMBL734888 1.00 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2
SCHEMBL959645 0.95 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2
SCHEMBL959647 0.95 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2
SCHEMBL955691 0.95 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2
SCHEMBL955692 0.95 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2
SCHEMBL3645664 0.95 HSD11B1 (1.00) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2
SCHEMBL958174 0.91 HSD11B1 (0.87) HSD11B1CYP3A4CYP2C9CYP2C19HSD3B2

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
EP-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 — — EP disclosed