SCHEMBL7713357

SCHEMBL7713357

CCCC1C[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1OC1CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.51
CYP2C19 P33261 1/20 0.42
SRD5A2 P31213 9/20 0.40
CYP19A1 P11511 1/20 0.37
DPP4 P27487 1/20 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
SCHEMBL7713354 1.00 SRD5A1 (0.51) SRD5A1CYP2C19SRD5A2CYP19A1DPP4
SCHEMBL7616961 0.88 SRD5A1 (0.51) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL7616969 0.88 SRD5A1 (0.51) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL7609974 0.79 SRD5A1 (0.63) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL7609968 0.79 SRD5A1 (0.63) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL7618759 0.76 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL7618756 0.76 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL7609770 0.73 SRD5A1 (0.51) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL7609766 0.73 SRD5A1 (0.51) SRD5A1CYP2C19SRD5A2CYP19A1
SCHEMBL8927022 0.73 SRD5A1 (0.51) SRD5A1CYP2C19SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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