SCHEMBL7615006

SCHEMBL7615006

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(N)=O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.72
SRD5A2 P31213 1/20 0.65
KCNH2 Q12809 5/20 0.65

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
SCHEMBL7614998 1.00 AR (0.72) ARSRD5A2KCNH2
SCHEMBL14013760 0.90 AR (0.74) ARSRD5A2KCNH2
SCHEMBL5247649 0.90 AR (0.74) ARSRD5A2KCNH2
SCHEMBL5116733 0.90 AR (0.74) ARSRD5A2KCNH2
SCHEMBL5874196 0.90 AR (0.74) ARSRD5A2KCNH2
SCHEMBL13403347 0.90 AR (0.74) ARSRD5A2KCNH2
SCHEMBL11005803 0.88 AR (0.68) ARSRD5A2KCNH2
SCHEMBL11005799 0.88 AR (0.68) ARSRD5A2KCNH2
SCHEMBL14493967 0.87 AR (0.70) ARSRD5A2KCNH2
SCHEMBL13465160 0.87 AR (0.70) ARSRD5A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432971-B2 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2002-08-13 US disclosed
US-6268376-B1 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2001-07-31 US disclosed
EP-0285382-B1 Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO INC (US) 1994-04-13 EP disclosed
EP-0285383-B1 Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO INC (US) 1994-03-16 EP disclosed
EP-0285383-A2 Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 EP disclosed
EP-0285382-A2 Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 EP disclosed
US-4760071-A Enzyme inhibitor MERCK & CO., INC. (US) 1988-07-26 US disclosed
EP-0155096-A2 17 Beta-Substituted-4-aza-5-alpha-androstenones and their use as 5-alpha-reductase inhibitors MERCK & CO. INC. (US) 1985-09-18 EP disclosed