SCHEMBL4569731

SCHEMBL4569731

C1CNCCNC1.Nc1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
ALPL P05186 1/20 0.44
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAPT P10636 6/20 0.41
NPSR1 Q6W5P4 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD4 P21917 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MCL1 Q07820 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39

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
SCHEMBL474802 0.87 ALPL (0.54) CA12ALPLMKNK1MKNK2MAPT
SCHEMBL14731247 0.74 HPGD (0.54) MAPTNPSR1L3MBTL1KMT2ANPC1
SCHEMBL28466328 0.73 ALPL (0.58) CA12ALPLMAPTL3MBTL1KMT2A
Tert-Butyl Formate SCHEMBL27799796 0.71 MAPT (0.46) CA12ALPLMKNK1MKNK2MAPT
Hydrochloric Acid SCHEMBL9124767 0.71 ALPL (0.56) CA12ALPLMAPTL3MBTL1KMT2A
SCHEMBL3339364 0.71 IKBKE (0.38) CA12ALPLMKNK1MKNK2MAPT
SCHEMBL14726281 0.70 CASP1 (0.44) MAPTLMNAHPGDTP53
SCHEMBL2598428 0.70 MKNK1 (0.74) MKNK1MKNK2MAPTNPSR1DRD4
SCHEMBL244618 0.70 ALPL (0.54) CA12ALPLMKNK1MKNK2MAPT
SCHEMBL1143098 0.70 SMN1; SMN2 (0.61) ALPLMAPTNPSR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed