SCHEMBL6607880

SCHEMBL6607880

CN(C)c1cc(NC(=O)O)c(NC(=O)CC(=O)c2cccc(-c3cc(COC4CCCCO4)on3)c2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.33
EP300 Q09472 1/20 0.33
POLB P06746 1/20 0.33
GABRA5 P31644 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
PRKD1 Q15139 1/20 0.31
RORC P51449 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6167093 0.93 CCR2 (0.32) CREBBPEP300NPC1RAB9APRKD1
SCHEMBL6606146 0.90 CREBBP (0.33) CREBBPEP300POLBNPC1RAB9A
SCHEMBL6606944 0.87 SCN5A (0.33) CREBBPEP300POLBRORCMAPT
SCHEMBL6622803 0.87 GABRA5 (0.34) CREBBPEP300POLBGABRA5RORC
SCHEMBL6608414 0.84 NTRK1 (0.33) CREBBPEP300POLBRORCKMT2A
SCHEMBL6164138 0.83 NPC1 (0.32) CREBBPEP300POLBNPC1RAB9A
SCHEMBL6165927 0.82 HDAC6 (0.33) CREBBPEP300POLBNPC1RAB9A
SCHEMBL6635699 0.82 CREBBP (0.35) CREBBPEP300POLBRORCKMT2A
SCHEMBL6164971 0.82 SLC6A9 (0.33) CREBBPEP300GABRA5
SCHEMBL6167900 0.82 CHRM1 (0.33) CREBBPEP300

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