SCHEMBL7798951

SCHEMBL7798951

O=C1CCC2c3cc(Cl)c(Cl)cc3CCC2N1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.69
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
HSD17B1 P14061 5/20 0.34
CYP19A1 P11511 1/20 0.34
EP300 Q09472 1/20 0.34
SRD5A2 P31213 2/20 0.33
ESR1 P03372 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
GAA P10253 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL7798953 1.00 SRD5A1 (0.69) SRD5A1HTR2AHTR2CHTR2BTP53
Ethyl Acetate SCHEMBL7796384 0.84 SRD5A1 (0.52) SRD5A1HTR2AHTR2CHTR2BHSD17B1
SCHEMBL7797837 0.82 SRD5A1 (1.00) SRD5A1HTR2AHTR2CHTR2BTP53
SCHEMBL7465080 0.82 SRD5A1 (1.00) SRD5A1HTR2AHTR2CHTR2BTP53
SCHEMBL7789450 0.82 SRD5A1 (1.00) SRD5A1HTR2AHTR2CHTR2BTP53
SCHEMBL7796419 0.76 SRD5A1 (0.70) SRD5A1SRD5A2
SCHEMBL7796422 0.76 SRD5A1 (0.70) SRD5A1SRD5A2
SCHEMBL7796273 0.76 SRD5A1 (0.70) SRD5A1SRD5A2DDB1CRBNCHRNB2
SCHEMBL7796251 0.76 SRD5A1 (0.70) SRD5A1TP53MDM2SRD5A2DDB1
SCHEMBL7796275 0.76 SRD5A1 (0.70) SRD5A1SRD5A2DDB1CRBNCHRNB2

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