SCHEMBL4000382

SCHEMBL4000382

COc1cc(-c2oc3ccc(CC(=O)CN4CCC(Cc5ccccc5)CC4)cc3c2SC)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
APP P05067 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3013804 0.89 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL4003846 0.89 ACHE (0.43) ALDH1A1GAAACHEBCHE
SCHEMBL4003793 0.86 CSNK2A2 (0.42) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL4005421 0.85 CSNK2A2 (0.41) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL3013194 0.85 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL4000385 0.81 ALDH1A1 (0.40) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL3011145 0.80 ACHE (0.49) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL3998431 0.80 LMNA (0.40) GRIN1GRIN2BGRIN2DGRIN3BADRA1A
SCHEMBL3001735 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL3001985 0.78 CSNK2A2 (0.43) MEN1KMT2AALDH1A1LMNATSHR

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-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP disclosed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO disclosed