SCHEMBL7806520

SCHEMBL7806520

NNC(=O)C(F)(F)Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HRH1 P35367 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 2/20 0.42
LMNA P02545 2/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42
P2RX7 Q99572 1/20 0.42
PTPRA P18433 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7810653 0.81 FDPS (0.51) FDPSSMN1; SMN2KDM4ECYP1A2LMNA
SCHEMBL966286 0.76 CA1 (0.56) SMN1; SMN2KDM4ECYP1A2TDP1RAB9A
SCHEMBL29672808 0.76 CA1 (0.56) SMN1; SMN2KDM4ECYP1A2TDP1RAB9A
Hydrochloric Acid SCHEMBL11689290 0.75 CA1 (0.55) SMN1; SMN2KDM4ECYP1A2LMNATDP1
SCHEMBL7810409 0.74 ALDH1A1 (0.45) FDPSSMN1; SMN2KDM4ELMNARAB9A
SCHEMBL7814882 0.73 TDP1 (0.55) SMN1; SMN2HRH1L3MBTL1HTTKDM4E
SCHEMBL7817332 0.73 CYP1A2 (0.47) FDPSSMN1; SMN2KDM4ECYP1A2CYP2C19
Trifluoroacetic Acid SCHEMBL3489057 0.73 SMN1; SMN2 (0.54) SMN1; SMN2HTTKDM4ECYP1A2LMNA
SCHEMBL231091 0.73 FDPS (0.56) FDPSSMN1; SMN2HRH1L3MBTL1TDP1
SCHEMBL146973 0.73 FDPS (0.52) FDPSSMN1; SMN2HRH1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694545-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use SEARLE & CO (US) 2000-07-26 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
EP-0694546-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1996-01-31 EP claimed
EP-0694545-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1996-01-31 EP claimed
US-5464830-A ANALGESICS G. D. SEARLE & CO. (US) 1995-11-07 US claimed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO claimed
EP-0694546-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and use SEARLE & CO (US) 2001-06-06 EP disclosed
EP-0694545-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use SEARLE & CO (US) 2000-07-26 EP disclosed
EP-0694546-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1996-01-31 EP disclosed
EP-0694545-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1996-01-31 EP 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