SCHEMBL4708974

SCHEMBL4708974

O=C(c1cc2cc(Br)ccc2oc1=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.59
GRIN2A Q12879 1/20 0.59
GRIN2B Q13224 1/20 0.59
GRIN2C Q14957 1/20 0.59
GPR35 Q9HC97 1/20 0.59
MAOA P21397 1/20 0.58
HPGD P15428 3/20 0.54
ALDH1A1 P00352 4/20 0.53
HTT P42858 3/20 0.51
USP2 O75604 2/20 0.51
ALDH2 P05091 1/20 0.51
ALDH1A3 P47895 1/20 0.51
F12 P00748 2/20 0.51
KMT2A Q03164 4/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL4709083 0.90 MEN1 (0.46) GRIN1GRIN2AGRIN2BGRIN2CGPR35
SCHEMBL5507387 0.83 PIM1 (0.56) GRIN1GRIN2AGRIN2BGRIN2CGPR35
SCHEMBL4711427 0.83 MAOB (0.56) GPR35MAOAHPGDALDH1A1F12
SCHEMBL4708955 0.83 CASP1 (0.66) HPGDALDH1A1F12KMT2AMAPT
SCHEMBL8237936 0.77 MEN1 (0.39) GRIN1GRIN2AGRIN2BGRIN2CGPR35
SCHEMBL3273927 0.77 GRIN1 (0.74) GRIN1GRIN2AGRIN2BGRIN2CGPR35
SCHEMBL1367996 0.76 GRIN1 (0.79) GRIN1GRIN2AGRIN2BGRIN2CGPR35
SCHEMBL1367953 0.76 GRIN1 (0.79) GRIN1GRIN2AGRIN2BGRIN2CGPR35
SCHEMBL4712242 0.76 ALDH1A1 (0.63) MAOAHPGDALDH1A1KMT2AKDM4E
SCHEMBL569881 0.75 GPR35 (1.00) GRIN1GRIN2AGRIN2BGRIN2CGPR35

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP claimed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO claimed
EP-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed