SCHEMBL7789439

SCHEMBL7789439

CC(C)(C)c1ccc2c(c1)CC[C@@H]1NC(=O)CC[C@@H]21

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 0.65
TRPV1 Q8NER1 6/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
KIF11 P52732 1/20 0.36
SRD5A2 P31213 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
SCHEMBL7789436 1.00 SRD5A1 (0.65) SRD5A1TRPV1DDB1CRBNTRPV4
SCHEMBL7796422 0.82 SRD5A1 (0.70) SRD5A1SRD5A2
SCHEMBL7796419 0.82 SRD5A1 (0.70) SRD5A1SRD5A2
SCHEMBL7789450 0.79 SRD5A1 (1.00) SRD5A1TRPV1DDB1CRBNSRD5A2
SCHEMBL7465080 0.79 SRD5A1 (1.00) SRD5A1TRPV1DDB1CRBNSRD5A2
SCHEMBL7796275 0.79 SRD5A1 (0.70) SRD5A1TRPV1DDB1CRBNSRD5A2
SCHEMBL7797837 0.79 SRD5A1 (1.00) SRD5A1TRPV1DDB1CRBNSRD5A2
SCHEMBL7796251 0.79 SRD5A1 (0.70) SRD5A1DDB1CRBNSRD5A2
SCHEMBL7796273 0.79 SRD5A1 (0.70) SRD5A1TRPV1DDB1CRBNSRD5A2
SCHEMBL7796254 0.79 SRD5A1 (0.70) SRD5A1DDB1CRBNSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591583-B1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2001-12-19 EP disclosed
EP-0532190-B1 Benzo(f)quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2000-12-27 EP disclosed
US-5710163-A STEROID 5A-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-01-20 US disclosed
US-5670512-A SKIN DISORDERS; REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5541190-A TREATING BENIGN PROSTATIC HYPERPLASIA, MALE PATTERN BALDNESS, PROSTATIC CANCER, ANDROGENIC ALOPECIA ELI LILLY AND COMPANY (US) 1996-07-30 US disclosed
US-5495021-A STEROID 5 ALPHA-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-27 US disclosed
US-5334767-A Steroid 5a-reductase inhibitor ELI LILLY AND COMPANY (US) 1994-08-02 US disclosed
EP-0591583-A1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1994-04-13 EP disclosed
US-5239075-A PROCESS FOR THE PREPARATION OF BENZO (F) QUINOLINONES ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
EP-0532190-A2 Benzo f quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed