SCHEMBL8446575

SCHEMBL8446575

CC(C)(C)OC(=O)N(CCC(=O)NN)Cc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
RIPK1 Q13546 1/20 0.41
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 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
SCHEMBL8303775 0.88 NPSR1 (0.45) POLBRIPK1ALDH1A1MAPK1NPSR1
SCHEMBL22357371 0.80 TRPM8 (0.53) POLBRIPK1TSHRMAPTTP53
SCHEMBL8444923 0.79 POLB (0.44) POLBRIPK1ALDH1A1NPSR1TSHR
SCHEMBL24391228 0.74 RIPK1 (0.61) POLBRIPK1ALOX5ALDH1A1NPSR1
SCHEMBL22357244 0.73 MAPT (0.47) POLBRIPK1ALDH1A1MAPK1NPSR1
SCHEMBL12142680 0.72 ALDH1A1 (0.42) POLBRIPK1ALDH1A1MAPK1NPSR1
SCHEMBL2842162 0.72 TRPM8 (0.50) POLBALDH1A1MAPK1NPSR1TSHR
SCHEMBL5746284 0.71 HDAC1 (0.47) POLBALDH1A1MAPK1NPSR1TSHR
SCHEMBL2834886 0.71 ALOX5 (0.56) POLBALOX5ALDH1A1NPSR1GFER
SCHEMBL13607686 0.70 ACKR3 (0.33) POLBALDH1A1MAPK1TSHRMAPT

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-0583421-B1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1999-06-16 EP disclosed
EP-0512400-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use SEARLE & CO (US) 1998-12-02 EP disclosed
US-5576315-A Substituted dibenzoxazepine compounds and methods for treating osteoporosis and ischemia G.D. SEARLE & CO. (US) 1996-11-19 US disclosed
US-5464830-A ANALGESICS G. D. SEARLE & CO. (US) 1995-11-07 US disclosed
US-5378840-A Substituted dibenzoxazepine compounds G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0583421-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512400-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 EP disclosed