SCHEMBL8931551

SCHEMBL8931551

CCC1C[C@H]2NC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 16/20 1.00
▸ SRD5A1 P18405 16/20 1.00
▸ FNTA P49354 2/20 0.55
▸ FNTB P49356 2/20 0.55

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
SCHEMBL917095 1.00 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL917094 1.00 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL917215 0.93 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL917213 0.93 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL8333306 0.93 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL918268 0.92 SRD5A1 (0.86) SRD5A2SRD5A1
SCHEMBL8931520 0.92 SRD5A1 (0.86) SRD5A2SRD5A1
SCHEMBL918267 0.92 SRD5A1 (0.86) SRD5A2SRD5A1
SCHEMBL916372 0.91 SRD5A1 (0.84) SRD5A2SRD5A1
SCHEMBL917238 0.91 SRD5A2 (0.84) SRD5A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572165-A1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 — — EP claimed
WO-1993023419-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO claimed
EP-0572165-B1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO INC (US) 1997-09-17 — — EP disclosed
US-5527807-A TREATING ALOPECIA, ACNE, PROSTATE DISORDERS MERCK & CO., INC. (US) 1996-06-18 — — US disclosed
EP-0572165-A1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 — — EP disclosed
WO-1993023419-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO disclosed
Send feedback