SCHEMBL3977786

SCHEMBL3977786

COc1ccc(N2CCN(CCCCNC(=O)C3=Cc4cc(OC)ccc4OC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.57
DRD4 P21917 5/20 0.57
POLB P06746 1/20 0.56
DRD2 P14416 3/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.54
HSP90AA1 P07900 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
HTR1A P08908 3/20 0.53
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
HRH1 P35367 1/20 0.53
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL8231863 0.93 DRD3 (0.60) DRD3DRD4DRD2MAPTMEN1
SCHEMBL3978987 0.93 DRD4 (0.52) DRD3DRD4POLBDRD2TP53
SCHEMBL13484917 0.92 DRD3 (0.51) DRD3DRD4POLBDRD2TP53
SCHEMBL3976398 0.92 DRD3 (0.57) DRD3DRD4POLBDRD2TP53
SCHEMBL3976040 0.91 LMNA (0.59) DRD3DRD4DRD2HTR1AHTR2A
SCHEMBL13484918 0.90 DRD3 (0.55) DRD3DRD4DRD2TP53MAPT
SCHEMBL3977379 0.90 DRD3 (0.56) DRD3DRD4DRD2MAPTMEN1
SCHEMBL13484920 0.89 DRD3 (0.55) DRD3DRD4DRD2HTR1AHTR2A
SCHEMBL13484912 0.89 DRD3 (0.55) DRD3DRD4DRD2MAPTMEN1
SCHEMBL13484977 0.88 DRD3 (0.56) DRD3DRD4DRD2HTR1AHTR2A

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-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO disclosed