SCHEMBL6606944

SCHEMBL6606944

O=C(O)Nc1cc(N2CCCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-c2cc(COC3CCCCO3)on2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
SCD O00767 1/20 0.32
RORC P51449 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CPT1A P50416 1/20 0.32

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
SCHEMBL6167900 0.93 CHRM1 (0.33) SCN5ASCN9AEP300CREBBPTAAR1
SCHEMBL6435927 0.89 SCN9A (0.37) SCN5ASCN9AMEN1KMT2APOLB
SCHEMBL6607880 0.87 CREBBP (0.33) EP300CREBBPMEN1KMT2APOLB
SCHEMBL6622826 0.82 EP300 (0.33) EP300CREBBPPOLBCYP1A2CYP3A4
SCHEMBL6167093 0.82 CCR2 (0.32) EP300CREBBP
SCHEMBL6606146 0.80 CREBBP (0.33) EP300CREBBPPOLB
SCHEMBL6621778 0.80 EP300 (0.33) EP300CREBBPPOLBRORCNPSR1
SCHEMBL6434930 0.79 SCN5A (0.36) SCN5ASCN9AMEN1KMT2APOLB
SCHEMBL6612867 0.79 NPC1 (0.39) EP300CREBBPMEN1KMT2AMAPT
SCHEMBL6608215 0.77 POLB (0.39) POLBMAPTTAAR1

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