SCHEMBL6607350

SCHEMBL6607350

Nc1cc(C(F)(F)F)c(NCC2CC2)cc1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
PTGER4 P35408 2/20 0.44
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
SCD O00767 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
RBP4 P02753 1/20 0.36
TTR P02766 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CRHR1 P34998 5/20 0.35
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.34
PRKCQ Q04759 2/20 0.34
PRKCD Q05655 1/20 0.34

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
SCHEMBL5563600 0.83 AAK1 (0.42) LIPCLIPGPTGER4PDE3BPDE3A
SCHEMBL6608013 0.81 LIPC (0.44) LIPCLIPGPTGER4PDE3BPDE3A
SCHEMBL6608117 0.80 PTGER4 (0.47) LIPCLIPGPTGER4HDAC3HDAC1
SCHEMBL27615897 0.78 AR (0.42) PDE3BPDE3AHDAC1KDM4C
SCHEMBL27615983 0.78 HTR2A (0.41) RBP4TTRHDAC3HDAC1HDAC2
SCHEMBL27597173 0.76 CFTR (0.39) RBP4HDAC3HDAC1HDAC2KDM4C
SCHEMBL27597232 0.74 CFTR (0.40) HDAC2
SCHEMBL22637106 0.73 HDAC1 (0.39) HDAC1HDAC2
SCHEMBL17336740 0.73 CFTR (0.41) HDAC2
SCHEMBL22636593 0.72 KDR (0.44) HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed