SCHEMBL6607218

SCHEMBL6607218

N#Cc1cc(C(=O)CC(=O)Nc2cc(C(F)(F)F)c(NCC3CC3)cc2NC(=O)O)ccn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.39
PRKCQ Q04759 3/20 0.37
PRKCD Q05655 3/20 0.37
POLB P06746 1/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CRHR1 P34998 2/20 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
SCHEMBL6167320 0.89 ACACB (0.38) BDKRB1PRKCQPRKCD
SCHEMBL6607208 0.82 POLB (0.36) BDKRB1PRKCQPRKCDPOLB
SCHEMBL6610697 0.80 POLB (0.39) POLB
SCHEMBL6612631 0.80 SCN10A (0.42) POLB
SCHEMBL6608517 0.80 SCN10A (0.40) POLB
SCHEMBL7046359 0.78 KDM4E (0.44)
SCHEMBL7455415 0.76 RAF1 (0.36)
SCHEMBL6166119 0.75 AAK1 (0.38)
SCHEMBL6167796 0.74 ACACB (0.33) BDKRB1PRKCQPRKCDPOLB
SCHEMBL6435476 0.74 KDR (0.36) POLB

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