Sugi Predict

Sugi Predict / Compounds / SCHEMBL7137478

SCHEMBL7137478

SCHEMBL7137478

CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 2/20 0.58
▸ CYP2C19 P33261 1/20 0.47
▸ CYP19A1 P11511 8/20 0.43
▸ SRD5A2 P31213 1/20 0.41

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
SCHEMBL7137474 1.00 SRD5A1 (0.58) SRD5A1CYP2C19CYP19A1SRD5A2
SCHEMBL7617616 0.84 SRD5A1 (0.61) SRD5A1CYP19A1
SCHEMBL3795654 0.84 SRD5A1 (0.61) SRD5A1CYP19A1
SCHEMBL9941024 0.81 SRD5A1 (0.58) SRD5A1CYP2C19CYP19A1SRD5A2
SCHEMBL7613573 0.79 SRD5A1 (0.67) SRD5A1CYP19A1
SCHEMBL7613570 0.79 SRD5A1 (0.67) SRD5A1CYP19A1
SCHEMBL11877438 0.79 CYP19A1 (0.52) CYP19A1SRD5A2
SCHEMBL11877430 0.79 CYP19A1 (0.52) CYP19A1SRD5A2
SCHEMBL8331556 0.78 SRD5A1 (0.54) SRD5A1CYP2C19CYP19A1SRD5A2
SCHEMBL28022844 0.77 CYP19A1 (0.71) CYP19A1

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
EP-0778284-B1 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO INC (US) 2003-11-26 — — EP disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 — — EP disclosed