SCHEMBL7057533

SCHEMBL7057533

CC(NC(=O)C(C#N)C1CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CPB2 Q96IY4 1/20 0.43
PRCP P42785 2/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 2/20 0.41
LMNA P02545 1/20 0.41
IDO1 P14902 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
SCHEMBL7745141 0.73 GAA (0.47) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL7747996 0.72 GAA (0.46) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL30737664 0.72 EPHX1 (0.44) HPGDSMN1; SMN2POLBALDH1A1EPHX1
SCHEMBL19652081 0.72 GAA (0.57) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL9057875 0.71 PRCP (0.45) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL7745786 0.71 GAA (0.44) GAAHPGDSMN1; SMN2CPB2PRCP
SCHEMBL7745153 0.70 GAA (0.43) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL13913572 0.70 GAA (0.54) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL10338496 0.68 PRCP (0.42) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL22803043 0.68 GPR139 (0.50) GAAHPGDSMN1; SMN2PRCPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970044-B1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AG (DE) 2003-05-07 EP disclosed
US-6410486-B2 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-6265447-B1 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-07-24 US disclosed
WO-2001014322-A1 CYCLOALKYLALKANE CARBOXYLIC ACID AMIDES, THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-01 WO disclosed
EP-0970044-A1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1998041499-A1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
US-4946867-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-07 US disclosed