Sugi Predict

Sugi Predict / Compounds / SCHEMBL7384040

SCHEMBL7384040

SCHEMBL7384040

CCCC(C)[C@H]1CC[C@H]2[C@@H]3C(C)CC4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 11/20 0.83
▸ SRD5A2 P31213 11/20 0.83
▸ GPBAR1 Q8TDU6 2/20 0.43
▸ NR1H4 Q96RI1 2/20 0.43
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42

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
SCHEMBL7776508 1.00 SRD5A1 (0.83) SRD5A1SRD5A2GPBAR1NR1H4FNTA
SCHEMBL8587067 1.00 SRD5A1 (0.83) SRD5A1SRD5A2GPBAR1NR1H4FNTA
SCHEMBL8587150 0.92 SRD5A1 (0.89) SRD5A1SRD5A2GPBAR1NR1H4FNTA
SCHEMBL7777965 0.92 SRD5A1 (0.79) SRD5A1SRD5A2GPBAR1NR1H4FNTA
SCHEMBL8588683 0.92 SRD5A1 (0.79) SRD5A1SRD5A2GPBAR1NR1H4FNTA
SCHEMBL7375587 0.92 SRD5A1 (0.79) SRD5A1SRD5A2GPBAR1NR1H4FNTA
SCHEMBL916887 0.91 SRD5A2 (1.00) SRD5A1SRD5A2FNTAFNTB
SCHEMBL8931547 0.91 SRD5A2 (1.00) SRD5A1SRD5A2FNTAFNTB
SCHEMBL8678743 0.89 SRD5A1 (0.77) SRD5A1SRD5A2GPBAR1NR1H4FNTA
SCHEMBL8678268 0.88 SRD5A1 (0.76) SRD5A1SRD5A2GPBAR1NR1H4FNTA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862556-B1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO INC (US) 2001-09-05 — — EP claimed
EP-0862556-A4 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO INC (US) 1999-02-03 — — EP claimed
WO-1998041211-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME MERCK & CO., INC. (US) 1998-09-24 — — WO claimed
EP-0862556-A1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES Merck & Co., Inc. (US) 1998-09-09 — — EP claimed
WO-1998025622-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING BONE LOSS MERCK & CO., INC. (US) 1998-06-18 — — WO claimed
US-5763361-A 17-alkyl-7-substituted-4-aza steroid derivatives as 5-α-reductase inhibitors MERCK & CO., INC. (US) 1998-06-09 — — US claimed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 — — WO claimed
WO-1997015558-A1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO., INC. (US) 1997-05-01 — — WO claimed
EP-0862556-B1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO INC (US) 2001-09-05 — — EP disclosed
US-5872126-A ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR MERCK & CO., INC. (US) 1999-02-16 — — US disclosed
EP-0862556-A4 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO INC (US) 1999-02-03 — — EP disclosed
WO-1998041211-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME MERCK & CO., INC. (US) 1998-09-24 — — WO disclosed
EP-0862556-A1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES Merck & Co., Inc. (US) 1998-09-09 — — EP disclosed
WO-1998025622-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING BONE LOSS MERCK & CO., INC. (US) 1998-06-18 — — WO disclosed
US-5763361-A 17-alkyl-7-substituted-4-aza steroid derivatives as 5-α-reductase inhibitors MERCK & CO., INC. (US) 1998-06-09 — — US disclosed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 — — WO disclosed
WO-1997015558-A1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO., INC. (US) 1997-05-01 — — WO disclosed