SCHEMBL7609770

SCHEMBL7609770

C=CCC1C[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1NC1CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.51
CYP2C19 P33261 1/20 0.41
SRD5A2 P31213 5/20 0.37
CYP19A1 P11511 6/20 0.35

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
SCHEMBL7609766 1.00 SRD5A1 (0.51) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL7616969 0.84 SRD5A1 (0.51) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL7616961 0.84 SRD5A1 (0.51) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL7609134 0.78 SRD5A1 (0.54) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL7609129 0.78 SRD5A1 (0.54) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL7713753 0.76 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL7713756 0.76 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL7611353 0.76 SRD5A1 (0.52) SRD5A1CYP2C19SRD5A2
SCHEMBL8065397 0.73 SRD5A1 (0.60) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL8065395 0.73 SRD5A1 (0.60) SRD5A1CYP2C19SRD5A2CYP19A1

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