SCHEMBL7740585

SCHEMBL7740585

CCCC1(C(C#N)C(=O)NCCc2ccc(Cl)cc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX1 P07099 2/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
NLN Q9BYT8 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL7745755 0.85 METAP2 (0.48) KMT2ACNR1ALDH1A1
SCHEMBL7055022 0.70 GAA (0.47) GAAHTTKMT2APOLBLMNA
SCHEMBL7054927 0.70 CNR1 (0.43) GAAHTTKMT2APOLBLMNA
SCHEMBL7053291 0.69 KMT2A (0.47) GAAHTTKMT2APOLBLMNA
SCHEMBL8219616 0.68 KMT2A (0.65) GAAHTTKMT2APOLBLMNA
SCHEMBL7745402 0.68 DPP4 (0.32)
SCHEMBL7057635 0.68 EPHX1 (0.51) GAAHTTKMT2APOLBLMNA
SCHEMBL1952759 0.67 LMNA (0.63) GAAHTTKMT2APOLBLMNA
SCHEMBL7740572 0.67 METAP2 (0.48) KMT2ACNR1ALDH1A1
SCHEMBL13801231 0.66 LMNA (0.62) GAAHTTKMT2APOLBLMNA

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