SCHEMBL6607778

SCHEMBL6607778

CN(C)Cc1cnnn1-c1cccc(C(=O)CC(=O)Nc2cc(Cl)c(N(C)C)cc2NC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.44
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
APOBEC3A P31941 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6608840 0.90 HSD11B1 (0.42) HSD11B1RAB9AKMT2A
SCHEMBL6164562 0.89 HSD11B1 (0.39) HSD11B1MALT1APOBEC3ACASP7CASP6
SCHEMBL6626827 0.88 HSD11B1 (0.40) HSD11B1MEN1KMT2AMALT1L3MBTL1
SCHEMBL28745485 0.83 HSD11B1 (0.36) HSD11B1MALT1
SCHEMBL6609350 0.82 HSD11B1 (0.36) HSD11B1TDP1
SCHEMBL6168329 0.80 HSD11B1 (0.37) HSD11B1MALT1
SCHEMBL6626656 0.79 HSD11B1 (0.52) HSD11B1
SCHEMBL6624974 0.78 KAT6A (0.40) MEN1RAB9AKMT2AAPOBEC3ACASP7
SCHEMBL6162617 0.78 HSD11B1 (0.36) HSD11B1MALT1L3MBTL1POLB
SCHEMBL6165821 0.74 HSD11B1 (0.33) HSD11B1MEN1KMT2A

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