SCHEMBL8797699

SCHEMBL8797699

CCOC(=O)CCCn1cc(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.64
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CREBBP Q92793 1/20 0.53
CNR2 P34972 9/20 0.53
IRAK4 Q9NWZ3 2/20 0.51
LMNA P02545 1/20 0.46
IRAK1 P51617 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44

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
SCHEMBL8792304 0.97 CNR1 (0.65) CNR1POLBL3MBTL1CREBBPCNR2
SCHEMBL9381431 0.95 CNR1 (0.57) CNR1POLBL3MBTL1CREBBPCNR2
SCHEMBL8792152 0.94 CREBBP (0.61) CNR1POLBL3MBTL1CREBBPCNR2
SCHEMBL9334417 0.93 CNR1 (0.63) CNR1POLBL3MBTL1CREBBPCNR2
SCHEMBL8792323 0.90 CNR1 (0.64) CNR1POLBL3MBTL1CREBBPCNR2
SCHEMBL8792292 0.89 CNR1 (0.51) CNR1POLBL3MBTL1CREBBPCNR2
SCHEMBL8792747 0.86 SRD5A1 (0.58) CNR1CREBBPCNR2IRAK4SRD5A1
SCHEMBL9384929 0.86 CNR1 (0.47) CNR1POLBL3MBTL1CNR2IRAK4
SCHEMBL8793547 0.85 CNR1 (0.73) CNR1POLBL3MBTL1CREBBPCNR2
SCHEMBL27304797 0.85 CNR1 (0.70) CNR1POLBL3MBTL1CREBBPCNR2

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-0458207-B1 Indole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-26 EP disclosed
CN-1030701-C Indole derivatives and process for production thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-17 CN disclosed
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
CN-1056685-A Indole derivatives and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 EP disclosed