SCHEMBL13724533

SCHEMBL13724533

CN1CCN(c2ccc([N+]3(C)CC=CN3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
PTK2B Q14289 2/20 0.45
KMT2A Q03164 2/20 0.45
ADRA2C P18825 2/20 0.45
GFER P55789 1/20 0.45
ESR2 Q92731 1/20 0.45
SIRT6 Q8N6T7 1/20 0.40
CHKA P35790 1/20 0.38
HTR3A P46098 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 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
SCHEMBL13728043 0.68 MAPT (0.50) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL526167 0.67 ALDH1A1 (0.63) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL30587961 0.67 MAPT (0.63) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL25645045 0.65 ADRB1 (0.67) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL81814 0.65 MAPT (0.65) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL15489560 0.65 MAPT (0.65) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL6414948 0.63 MAPT (1.00) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL666629 0.63 MAPT (0.63) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL56547 0.63 MAPT (1.00) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL21204496 0.63 MAPT (0.63) MAPTGAAALDH1A1KDM4EPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP claimed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO claimed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed