SCHEMBL13636205

SCHEMBL13636205

C=CCN1CCN(C(=O)/C=C/c2ccc(N3CCCC3)c(N=O)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
GPR183 P32249 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 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
SCHEMBL14190955 0.82 MAPT (0.59) TDP1ALDH1A1KMT2AMEN1NPC1
SCHEMBL4375431 0.82 MAPT (0.59) TDP1ALDH1A1KMT2AMEN1NPC1
SCHEMBL4382910 0.71 GPR183 (0.52) TDP1ALDH1A1KMT2AGPR183KDM4E
SCHEMBL13636500 0.71 GPR183 (0.52) TDP1ALDH1A1KMT2AGPR183KDM4E
SCHEMBL4377423 0.71 GPR183 (0.57) TDP1ALDH1A1KMT2AGPR183MEN1
SCHEMBL13636161 0.71 GPR183 (0.57) TDP1ALDH1A1KMT2AGPR183MEN1
SCHEMBL4381758 0.69 GPR183 (0.57) TDP1ALDH1A1GPR183KDM4EL3MBTL1
SCHEMBL14190945 0.69 GPR183 (0.57) TDP1ALDH1A1GPR183KDM4EL3MBTL1
SCHEMBL28170710 0.67 ALDH1A3 (0.62) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL14190904 0.67 MAPT (0.62) TDP1ALDH1A1KMT2AGPR183MEN1

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
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed