SCHEMBL9335709

SCHEMBL9335709

CCOC(=O)CCCn1cc(C(=O)c2cccc(NC(C#N)c3ccc(CC(C)C)cc3)c2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.67
SRD5A2 P31213 5/20 0.67
CNR1 P21554 6/20 0.51
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR2 P34972 3/20 0.42
CREBBP Q92793 1/20 0.42
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL8794320 0.90 SRD5A1 (0.81) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9337733 0.90 SRD5A1 (0.81) SRD5A1SRD5A2CNR1POLBCNR2
SCHEMBL9337667 0.89 SRD5A1 (0.72) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9337850 0.88 SRD5A1 (0.71) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL8793720 0.88 SRD5A1 (0.78) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9334514 0.88 SRD5A1 (0.70) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9337602 0.87 SRD5A1 (0.69) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9844599 0.86 SRD5A1 (0.68) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9334494 0.86 SRD5A1 (0.66) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9334580 0.86 SRD5A1 (0.68) SRD5A1SRD5A2CNR1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 EP disclosed