SCHEMBL8726889

SCHEMBL8726889

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCC(=O)c5ccccc5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.59
SRD5A2 P31213 2/20 0.59
HSD17B7 P56937 1/20 0.51

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
SCHEMBL8726898 1.00 SRD5A1 (0.59) SRD5A1SRD5A2HSD17B7
SCHEMBL8723383 0.93 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL8723389 0.93 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL8723334 0.88 HSD17B7 (0.57) SRD5A1SRD5A2HSD17B7
SCHEMBL8725556 0.88 HSD17B7 (0.57) SRD5A1SRD5A2HSD17B7
SCHEMBL8723340 0.88 HSD17B7 (0.57) SRD5A1SRD5A2HSD17B7
SCHEMBL8723337 0.88 HSD17B7 (0.57) SRD5A1SRD5A2HSD17B7
SCHEMBL8725548 0.88 HSD17B7 (0.57) SRD5A1SRD5A2HSD17B7
SCHEMBL8725551 0.88 HSD17B7 (0.57) SRD5A1SRD5A2HSD17B7
SCHEMBL8721478 0.88 SRD5A1 (0.53) SRD5A1SRD5A2HSD17B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510485-A PREGNANES OR ANDROSTANES; ANTIANDROGENS, HORMONE INHIBITORS MERCK & CO., INC. (US) 1996-04-23 US claimed
EP-0641209-A4 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-23 EP claimed
EP-0641209-A1 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP claimed
WO-1993023051-A1 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US 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
US-5510485-A PREGNANES OR ANDROSTANES; ANTIANDROGENS, HORMONE INHIBITORS MERCK & CO., INC. (US) 1996-04-23 US disclosed
EP-0641209-A4 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0641209-A1 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023051-A1 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed