SCHEMBL10864286

SCHEMBL10864286

Cc1cc(CNCCN)no1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.37
GAA P10253 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH2 Q12809 4/20 0.34
TLR7 Q9NYK1 4/20 0.34
HTR2A P28223 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL3432055 0.83 EPHX2 (0.42) EPHX2PDE10AALDH1A1EGFRGAA
SCHEMBL3432057 0.83 EPHX2 (0.42) EPHX2PDE10AALDH1A1EGFRGAA
SCHEMBL2259618 0.79 EPHX2 (0.43) EPHX2PDE10AALDH1A1EGFRGAA
SCHEMBL16269138 0.79 TERT (0.41) EPHX2PDE10AALDH1A1EGFRGAA
SCHEMBL18868074 0.77
SCHEMBL4156491 0.75
SCHEMBL22593293 0.75
SCHEMBL3718965 0.75
SCHEMBL56595 0.74
SCHEMBL13573577 0.73 MAPT (0.42) EPHX2PDE10AALDH1A1ADORA2AADORA1

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-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed