SCHEMBL8081787

SCHEMBL8081787

C=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.48
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
UBE2T Q9NPD8 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.44
P4HTM Q9NXG6 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
CNR2 P34972 2/20 0.43
DGAT1 O75907 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL8086591 0.90 CNR2 (0.56) ALDH1A1MEN1KMT2AKCNQ3KCNQ2
SCHEMBL4252309 0.86 P4HTM (0.61) CNR1ALDH1A1MEN1RECQLKMT2A
SCHEMBL13930597 0.85 P4HTM (0.60) CNR1ALDH1A1MEN1RECQLKMT2A
SCHEMBL4249417 0.83 P4HTM (0.61) CNR1ALDH1A1MEN1KMT2AKCNQ3
SCHEMBL8086323 0.79 KDM4E (0.54) ALDH1A1MEN1KMT2ANPSR1NPC1
SCHEMBL4919397 0.79 CNR1 (0.62) CNR1ALDH1A1MEN1RECQLKMT2A
SCHEMBL3952279 0.77 DGAT1 (0.52) CNR1ALDH1A1MEN1RECQLKMT2A
SCHEMBL3679282 0.76 P4HTM (0.58) ALDH1A1RAB9ALMNAP4HTMDGAT1
SCHEMBL4247530 0.76 MAPT (0.69) ALDH1A1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3680529 0.76 RAB9A (0.69) ALDH1A1MEN1KMT2ARAB9ALMNA

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-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed