SCHEMBL7745756

SCHEMBL7745756

CCC1(C(C#N)C(=O)NC(C)c2ccc(Cl)cc2Cl)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
P2RX7 Q99572 3/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CTSL P07711 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
SCHEMBL7740575 0.86 MEN1 (0.48) MEN1KMT2AP2RX7LMNAPOLB
SCHEMBL7748004 0.85 MEN1 (0.47) MEN1KMT2AP2RX7LMNAPOLB
SCHEMBL7745786 0.84 GAA (0.44) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL7745418 0.82 MEN1 (0.45) MEN1KMT2AP2RX7LMNAPOLB
Diclocymet SCHEMBL674273 0.75 MEN1 (0.50) MEN1KMT2ALMNAPOLBMAPT
Diclocymet SCHEMBL4165786 0.75 MEN1 (0.50) MEN1KMT2ALMNAPOLBMAPT
Diclocymet SCHEMBL8921616 0.75 MEN1 (0.50) MEN1KMT2ALMNAPOLBMAPT
Diclocymet SCHEMBL674274 0.75 MEN1 (0.50) MEN1KMT2ALMNAPOLBMAPT
Diclocymet SCHEMBL42437 0.75 MEN1 (0.50) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL19908124 0.74 MEN1 (0.52) MEN1KMT2AP2RX7LMNAPOLB

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