SCHEMBL7612937

SCHEMBL7612937

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](NC5CC5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.69
KCNH2 Q12809 5/20 0.62
SRD5A2 P31213 1/20 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
SCHEMBL7612946 1.00 AR (0.69) ARKCNH2SRD5A2
SCHEMBL2641120 0.89 AR (0.67) ARKCNH2SRD5A2
SCHEMBL4795422 0.86 AR (0.68) ARKCNH2SRD5A2
SCHEMBL2639362 0.86 AR (0.68) ARKCNH2SRD5A2
SCHEMBL9546770 0.86 AR (0.68) ARKCNH2SRD5A2
SCHEMBL2638986 0.85 AR (0.70) ARKCNH2SRD5A2
SCHEMBL2638987 0.85 AR (0.70) ARKCNH2SRD5A2
SCHEMBL4943813 0.84 AR (0.69) ARKCNH2SRD5A2
SCHEMBL2641125 0.84 AR (0.69) ARKCNH2SRD5A2
SCHEMBL4795805 0.84 AR (0.69) ARKCNH2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880540-B1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE AVENTIS PHARMA INC (US) 2002-06-12 EP disclosed
US-6365597-B1 FOR THERAPY OF ANDROGEN AND ESTROGEN MEDIATED DISORDERS, INCLUDING BENIGN PROSTATIC HYPERPLASIA, ANDROGEN MEDIATED PROSTATE CANCER, ESTROGEN MEDIATED BREAST CANCER AND ACNE AVENTIS PHARMACEUTICALS INC. 2002-04-02 US disclosed
EP-0880540-A1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE HOECHST MARION ROUSSEL, INC. (US) 1998-12-02 EP disclosed
WO-1997030069-A1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE HOECHST MARION ROUSSEL, INC. (US) 1997-08-21 WO disclosed