SCHEMBL11485136

SCHEMBL11485136

CN(C)C=CC=Nc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
PLAU P00749 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
KCNH2 Q12809 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NLRP3 Q96P20 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
SCHEMBL29897004 0.82 MAOA (0.46) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL1355341 0.82 MAOA (0.46) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL1355343 0.82 MAOA (0.46) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL710570 0.74 NPC1 (0.49) MAOAMAOBKDM4EALDH1A1MAPT
SCHEMBL11492822 0.72 KMT2A (0.46) MAOAKDM4EALDH1A1MAPTMEN1
SCHEMBL7093346 0.72 MAOA (0.44) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL11492818 0.72 KMT2A (0.46) MAOAKDM4EALDH1A1MAPTMEN1
SCHEMBL9095846 0.71
SCHEMBL6375021 0.68 NOS3 (0.42) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL1853723 0.67 MAOA (0.50) MAOAMAOBADRA2AADRA2BADRA2C

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-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 US disclosed