SCHEMBL13655319

SCHEMBL13655319

CCC(N)Cc1ccnc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.60
LOX P28300 2/20 0.60
SLC6A4 P31645 2/20 0.40
AAK1 Q2M2I8 2/20 0.40
CYP3A4 P08684 1/20 0.40
ACACB O00763 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
TAAR1 Q96RJ0 2/20 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
SCHEMBL14860569 0.86 LOXL2 (0.58) LOXL2LOXSLC6A4AAK1CYP3A4
SCHEMBL13655389 0.86 LOXL2 (0.58) LOXL2LOXSLC6A4AAK1CYP3A4
SCHEMBL12093674 0.80 LOXL2 (0.62) LOXL2LOXAAK1CYP3A4ACACB
SCHEMBL21227109 0.79 LOX (0.54) LOXL2LOXAAK1ACACB
SCHEMBL12093688 0.78 LOXL2 (0.61) LOXL2LOXAAK1ACACB
SCHEMBL25357821 0.77 LOX (0.55) LOXL2LOXACACBNOS3NOS1
SCHEMBL31747001 0.77 LOX (0.55) LOXL2LOXACACBNOS3NOS1
SCHEMBL14861107 0.77 LOX (0.55) LOXL2LOXACACBNOS3NOS1
SCHEMBL805488 0.77 LOXL2 (0.69) LOXL2LOXACACBPIK3CAMTOR
SCHEMBL17492 0.77 LOXL2 (0.51) LOXL2LOXACACB

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-1450750-B1 USE OF 2-AMINO-4-PYRIDYLMETHYL-THIAZOLINE DERIVATIVES AS INHIBITORS OF INDUCIBLE NO-SYNTHASE AVENTIS PHARMA SA (FR) 2009-10-21 EP disclosed