SCHEMBL7573472

SCHEMBL7573472

CCCC#CCN=Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
AMY1A P0DUB6 1/20 0.40
GUSB P08236 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL7573468 1.00 MAPT (0.41) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7580027 0.92 MAPT (0.39) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7580034 0.92 MAPT (0.39) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7579099 0.90 MAPT (0.38) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7579094 0.90 MAPT (0.38) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7574211 0.89 MAPT (0.38) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7574208 0.89 MAPT (0.38) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7581586 0.88 MAPT (0.43) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7581579 0.88 MAPT (0.43) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7571279 0.83 MAPT (0.47) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810199-B1 Method for producing propargylamine compounds SUMITOMO CHEMICAL CO (JP) 2002-09-25 EP disclosed
US-5756769-A Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-05-26 US disclosed
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 EP disclosed