SCHEMBL8448644

SCHEMBL8448644

NNC(=O)CCNCc1ccco1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
EPHX2 P34913 3/20 0.53
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 6/20 0.50
POLB P06746 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PTPN7 P35236 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
ATM Q13315 1/20 0.47
CYP1A2 P05177 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
SCHEMBL9372019 0.82 TSHR (0.59) CHRM2EPHX2TDP1TSHRALDH1A1
SCHEMBL10005850 0.81 CHRM2 (0.57) CHRM2EPHX2TDP1TSHRALDH1A1
SCHEMBL4418032 0.80 NTRK1 (0.48) EPHX2ALDH1A1POLBKDM4EHPGD
SCHEMBL8305118 0.78 CHRM2 (0.54) CHRM2EPHX2TDP1TSHRALDH1A1
SCHEMBL1642902 0.77 CHRM2 (0.77) CHRM2EPHX2TDP1TSHRALDH1A1
SCHEMBL12992377 0.75 CHRM2 (0.63) CHRM2EPHX2TDP1TSHRALDH1A1
SCHEMBL2835932 0.75 ALDH1A1 (0.55) CHRM2EPHX2TDP1TSHRALDH1A1
SCHEMBL1641490 0.74 CHRM2 (0.72) CHRM2EPHX2TDP1TSHRALDH1A1
SCHEMBL7468419 0.74 CHRM2 (0.67) CHRM2EPHX2TDP1TSHRALDH1A1
SCHEMBL2858204 0.74 CHRM2 (0.67) CHRM2EPHX2TDP1TSHRALDH1A1

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