SCHEMBL20180506

SCHEMBL20180506

Bc1cc(C)cc(F)c1N1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
CCR4 P51679 1/20 0.37
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
NPC1 O15118 1/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA2B P18089 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL13757013 0.87 MAPT (0.45) MAPTCCR4ALDH1A1L3MBTL1KDM4E
SCHEMBL20180480 0.82 ALDH1A1 (0.42) MAPTCCR4ALDH1A1L3MBTL1KDM4E
SCHEMBL25718308 0.79 MAPT (0.40) MAPTCCR4ALDH1A1L3MBTL1KDM4E
SCHEMBL21388465 0.79 MAPT (0.47) MAPTCCR4ALDH1A1L3MBTL1KDM4E
SCHEMBL24123758 0.79 HRH4 (0.41) MAPTCCR4KDM4ESMN1; SMN2NPSR1
SCHEMBL20180619 0.77 DRD2 (0.42) MAPTCCR4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21388477 0.74 KDM4E (0.39) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL8275459 0.74 MAPT (0.46) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL20180504 0.71 NPSR1 (0.53) MAPTCCR4ALDH1A1KDM4EKMT2A
SCHEMBL14137696 0.71 ALDH1A1 (0.41) MAPTALDH1A1KDM4EMEN1KMT2A

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-2018090939-A1 8,9-DIHYDROIMIDAZOLE[1,2-A]PYRIMIDO[5,4-E]PYRIMIDINE-5(6H)-KETONE COMPOUND 上海瑛派药业有限公司 2018-05-24 WO disclosed