SCHEMBL7797837

SCHEMBL7797837

O=C1CCC2c3ccc(Cl)cc3CCC2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 8/20 1.00
SRD5A2 P31213 2/20 0.52
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
HTR2C P28335 2/20 0.43
NPY5R Q15761 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
AHR P35869 1/20 0.37
SLC6A4 P31645 1/20 0.37
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 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
SCHEMBL7789450 1.00 SRD5A1 (1.00) SRD5A1SRD5A2TP53MDM2HTR2C
SCHEMBL7465080 1.00 SRD5A1 (1.00) SRD5A1SRD5A2TP53MDM2HTR2C
SCHEMBL7796254 0.82 SRD5A1 (0.70) SRD5A1SRD5A2TP53MDM2DDB1
SCHEMBL7796275 0.82 SRD5A1 (0.70) SRD5A1SRD5A2TRPV1SLC6A4DDB1
SCHEMBL7796422 0.82 SRD5A1 (0.70) SRD5A1SRD5A2SLC6A4
SCHEMBL7796251 0.82 SRD5A1 (0.70) SRD5A1SRD5A2TP53MDM2DDB1
SCHEMBL7796419 0.82 SRD5A1 (0.70) SRD5A1SRD5A2SLC6A4
SCHEMBL7796273 0.82 SRD5A1 (0.70) SRD5A1SRD5A2TRPV1SLC6A4DDB1
SCHEMBL7798951 0.82 SRD5A1 (0.69) SRD5A1SRD5A2TP53MDM2HTR2C
SCHEMBL7798953 0.82 SRD5A1 (0.69) SRD5A1SRD5A2TP53MDM2HTR2C

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 8 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-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