SCHEMBL7745786

SCHEMBL7745786

CCC1(C(C#N)C(=O)NC(C)c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RPS6KB1 P23443 2/20 0.40
PRCP P42785 2/20 0.40
ALDH1A1 P00352 2/20 0.38
CTSC P53634 1/20 0.37
CPB2 Q96IY4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7745756 0.84 MEN1 (0.46) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL7745141 0.84 GAA (0.47) GAAHPGDSMN1; SMN2RPS6KB1PRCP
SCHEMBL7747996 0.83 GAA (0.46) GAAHPGDSMN1; SMN2RPS6KB1PRCP
SCHEMBL7745153 0.81 GAA (0.43) GAAHPGDSMN1; SMN2RPS6KB1PRCP
SCHEMBL7057533 0.71 GAA (0.54) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL9057875 0.70 PRCP (0.45) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL7740585 0.70 GAA (0.44) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL7740575 0.69 MEN1 (0.48) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL19652081 0.69 GAA (0.57) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL7748004 0.68 MEN1 (0.47) GAAALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001014322-A1 CYCLOALKYLALKANE CARBOXYLIC ACID AMIDES, THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-01 WO disclosed