SCHEMBL8851534

SCHEMBL8851534

CC(C)([NH])CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 5/20 0.45
MAOA P21397 1/20 0.45
POLB P06746 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
AOC3 Q16853 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL7212578 0.86 CYP2D6 (0.45) MAOASLC6A2AOC3MAOBHTR2A
SCHEMBL6685035 0.82 L3MBTL1 (0.48) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL11047843 0.80 L3MBTL1 (0.47) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL28737092 0.78 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL28882516 0.78 FAAH (0.46) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL3797223 0.78 TAAR1 (0.56) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL3804525 0.78 POLB (0.49) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL1678141 0.78 MEN1 (0.46) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL6286868 0.77 TAAR1 (0.48) L3MBTL1MEN1KMT2ASIGMAR1MAOA
Bromide SCHEMBL11133528 0.77 SLC6A2 (0.54) L3MBTL1MEN1KMT2ASIGMAR1MAOA

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
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed