SCHEMBL7789458

SCHEMBL7789458

O=C1CCC2c3cc([N+](=O)[O-])ccc3CCC2N1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.53
CHRNB4 P30926 4/20 0.45
CHRNA3 P32297 4/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
TDP2 O95551 1/20 0.41
GRIN2B Q13224 3/20 0.40
PNMT P11086 5/20 0.40
ADRA2A P08913 3/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
HSP90AA1 P07900 1/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL7789459 1.00 SRD5A1 (0.53) SRD5A1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4101810 0.79 PNMT (0.43) CHRNB4CHRNA3CHRNB2CHRNA4GRIN2B
SCHEMBL8841007 0.75 SRD5A1 (0.54) SRD5A1
SCHEMBL8103045 0.75 SRD5A1 (0.54) SRD5A1
SCHEMBL8840972 0.75 SRD5A1 (0.54) SRD5A1
SCHEMBL7789498 0.74 SRD5A1 (0.64) SRD5A1
SCHEMBL698225 0.74 SRD5A1 (0.64) SRD5A1
SCHEMBL698224 0.74 SRD5A1 (0.64) SRD5A1
SCHEMBL7797739 0.74 SRD5A1 (0.64) SRD5A1
SCHEMBL7799877 0.72 SRD5A1 (0.60) SRD5A1

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