SCHEMBL8792292

SCHEMBL8792292

CCOC(=O)CCCn1cc(C(=O)c2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.51
IRAK4 Q9NWZ3 2/20 0.44
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TNF P01375 1/20 0.42
CNR2 P34972 2/20 0.42
CREBBP Q92793 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IRAK1 P51617 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8797699 0.89 CNR1 (0.64) CNR1IRAK4POLBL3MBTL1CNR2
SCHEMBL8793594 0.87 SRD5A1 (0.46) CNR1IRAK4L3MBTL1CNR2F2
SCHEMBL8792304 0.87 CNR1 (0.65) CNR1IRAK4POLBL3MBTL1CNR2
SCHEMBL9381431 0.86 CNR1 (0.57) CNR1IRAK4POLBL3MBTL1TNF
SCHEMBL8792152 0.84 CREBBP (0.61) CNR1IRAK4POLBL3MBTL1CNR2
SCHEMBL9334417 0.82 CNR1 (0.63) CNR1POLBL3MBTL1TNFCNR2
SCHEMBL9384929 0.81 CNR1 (0.47) CNR1IRAK4POLBL3MBTL1TNF
SCHEMBL8792323 0.79 CNR1 (0.64) CNR1POLBL3MBTL1CNR2CREBBP
SCHEMBL9337830 0.77 CNR1 (0.59) CNR1POLBL3MBTL1CNR2CREBBP
SCHEMBL8792747 0.76 SRD5A1 (0.58) CNR1IRAK4CNR2CREBBPKMT2A

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 6 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
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
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