SCHEMBL9334580

SCHEMBL9334580

CCCCCC(Nc1cccc(C(=O)c2cn(CCCC(=O)OCC)c3ccccc23)c1)c1ccc(CC(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.68
SRD5A2 P31213 5/20 0.68
CNR1 P21554 9/20 0.50
CNR2 P34972 8/20 0.47
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CREBBP Q92793 1/20 0.42

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
SCHEMBL9337602 0.98 SRD5A1 (0.69) SRD5A1SRD5A2CNR1CNR2POLB
SCHEMBL9334514 0.96 SRD5A1 (0.70) SRD5A1SRD5A2CNR1CNR2POLB
SCHEMBL9337667 0.93 SRD5A1 (0.72) SRD5A1SRD5A2CNR1CNR2POLB
SCHEMBL9334133 0.91 SRD5A1 (0.81) SRD5A1SRD5A2CNR1CNR2
SCHEMBL8794320 0.91 SRD5A1 (0.81) SRD5A1SRD5A2CNR1CNR2POLB
SCHEMBL9335527 0.89 SRD5A1 (0.83) SRD5A1SRD5A2CNR1CNR2
SCHEMBL8793720 0.89 SRD5A1 (0.78) SRD5A1SRD5A2CNR1CNR2POLB
SCHEMBL9337850 0.88 SRD5A1 (0.71) SRD5A1SRD5A2CNR1CNR2POLB
SCHEMBL9337867 0.87 SRD5A1 (0.84) SRD5A1SRD5A2CNR1CNR2
SCHEMBL8793415 0.87 SRD5A1 (0.76) SRD5A1SRD5A2CNR1CNR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603278-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 EP disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
WO-1993005019-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-18 WO disclosed