SCHEMBL6607953

SCHEMBL6607953

Cn1ncc(COC2CCCCO2)c1-c1cccc(C(=O)CC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.38
EP300 Q09472 1/20 0.38
PDE4D Q08499 3/20 0.35
PDE7A Q13946 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
S1PR1 P21453 1/20 0.34
PDE4B Q07343 2/20 0.34
USP30 Q70CQ3 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
EIF4EBP1 Q13541 2/20 0.33
PTPN1 P18031 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 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
SCHEMBL6164557 0.91 USP30 (0.36) CREBBPEP300PDE4DPDE7AMEN1
SCHEMBL6166434 0.89 PDE7A (0.44) CREBBPEP300PDE4DPDE7AMEN1
SCHEMBL6609371 0.83 CREBBP (0.38) CREBBPEP300PDE4DPDE7AMEN1
SCHEMBL6167957 0.81 KDM4C (0.39) KDM4CUSP30RXRA
SCHEMBL6608414 0.81 NTRK1 (0.33) CREBBPEP300KMT2A
SCHEMBL6634587 0.79 GABRA5 (0.44) CREBBPEP300MEN1KMT2A
SCHEMBL6608326 0.79 HDAC3 (0.42) MEN1KMT2AS1PR1
SCHEMBL6168648 0.78 RORC (0.31) CREBBPEP300KMT2A
SCHEMBL6610013 0.78 MEN1 (0.41) CREBBPEP300PDE4DPDE7AMEN1
SCHEMBL6612867 0.77 NPC1 (0.39) CREBBPEP300MEN1KMT2A

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