SCHEMBL7789453

SCHEMBL7789453

CN1C(=O)CC[C@H]2c3ccccc3CC[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 16/20 1.00
SRD5A2 P31213 2/20 0.66
HTR1A P08908 3/20 0.54
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL7799921 1.00 SRD5A1 (1.00) SRD5A1SRD5A2HTR1ASIGMAR1
SCHEMBL7789452 1.00 SRD5A1 (1.00) SRD5A1SRD5A2HTR1ASIGMAR1
SCHEMBL7789457 0.82 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL7789455 0.82 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL7796411 0.81 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL7796416 0.81 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL7798956 0.81 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL7796427 0.80 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL7798977 0.80 SRD5A1 (0.80) SRD5A1SRD5A2
Bexlosteride SCHEMBL7798944 0.80 SRD5A1 (1.00) SRD5A1SRD5A2

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