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SCHEMBL7380562

SCHEMBL7380562

CC1CC2N(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(C)C)CC[C@H]3[C@H]12

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 7/20 0.76
▸ SRD5A1 P18405 6/20 0.76
▸ AR P10275 4/20 0.53
▸ KCNH2 Q12809 3/20 0.53

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
SCHEMBL7778952 1.00 SRD5A2 (0.76) SRD5A2SRD5A1ARKCNH2
SCHEMBL8588600 1.00 SRD5A2 (0.76) SRD5A2SRD5A1ARKCNH2
SCHEMBL7778486 0.90 SRD5A1 (0.80) SRD5A2SRD5A1ARKCNH2
SCHEMBL7376956 0.90 SRD5A1 (0.80) SRD5A2SRD5A1ARKCNH2
SCHEMBL8585430 0.90 SRD5A1 (0.80) SRD5A2SRD5A1ARKCNH2
SCHEMBL8588304 0.88 SRD5A1 (0.90) SRD5A2SRD5A1ARKCNH2
SCHEMBL7379641 0.88 SRD5A1 (0.83) SRD5A2SRD5A1ARKCNH2
SCHEMBL7771657 0.88 SRD5A1 (0.83) SRD5A2SRD5A1ARKCNH2
SCHEMBL7384127 0.85 SRD5A2 (0.69) SRD5A2SRD5A1ARKCNH2
SCHEMBL7778948 0.85 SRD5A2 (0.69) SRD5A2SRD5A1ARKCNH2

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