SCHEMBL13448583

SCHEMBL13448583

Nc1cc(N)cc(-c2cccc(-c3ccccc3-c3cccc(-c4cccc(F)c4)c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
MAOA P21397 1/20 0.44
ESR2 Q92731 1/20 0.43
PDK2 Q15119 1/20 0.41
FYN P06241 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 3/20 0.40
ADORA2A P29274 2/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MAOB P27338 1/20 0.39
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL31168142 0.78 HTT (0.49) TAAR1ESR2PDK2KDM4EMAPT
SCHEMBL3790609 0.78 TAAR1 (0.72) TAAR1MAOAESR2FYNKDM4E
SCHEMBL19503242 0.78 HTT (0.49) TAAR1ESR2PDK2KDM4EMAPT
SCHEMBL31142156 0.78 MAOA (0.59) TAAR1MAOAMEN1KMT2AMAP4K4
SCHEMBL397893 0.77 ALDH1A1 (0.58) TAAR1ESR2PDK2KDM4EMEN1
SCHEMBL16519831 0.76 MAOA (0.73) TAAR1MAOAKDM4EMEN1MAPT
SCHEMBL28102063 0.76 TAAR1 (0.61) TAAR1MAOAESR2ADORA2A
SCHEMBL16605628 0.76 TAAR1 (0.65) TAAR1ESR2KDM4EMEN1MAPT
SCHEMBL16605626 0.76 TAAR1 (0.65) TAAR1ESR2KDM4EMEN1MAPT
SCHEMBL29628985 0.76 TAAR1 (0.65) TAAR1ESR2KDM4EMEN1MAPT

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-2166591-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed