SCHEMBL4591869

SCHEMBL4591869

ClCc1ccc(-c2cccc(Cl)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
ALOX5 P09917 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
MAOB P27338 2/20 0.44
MAP4K4 O95819 3/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HRH1 P35367 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ESR2 Q92731 1/20 0.41
BACE1 P56817 1/20 0.41
DHFR P00374 1/20 0.41
SCN2A Q99250 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL13273052 0.85 CNR2 (0.47) CNR2TAAR1ALOX5EGLN1MAOB
SCHEMBL2554715 0.80 RAB9A (0.45) MAP4K4RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL30103039 0.80 RAB9A (0.45) MAP4K4RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4592575 0.80 GFER (0.46) EGLN1MAP4K4RAB9ASMN1; SMN2NPC1
SCHEMBL16675074 0.79 CYP2A6 (0.51)
SCHEMBL11172794 0.78 CYP2A6 (0.58) CNR2TAAR1ALOX5EGLN1MAP4K4
SCHEMBL2319381 0.75 MAP4K4 (0.68) CNR2TAAR1ALOX5MAP4K4BACE1
SCHEMBL422044 0.75 SMN1; SMN2 (0.55) CNR2TAAR1ALOX5EGLN1MAP4K4
SCHEMBL10898685 0.74 MAP4K4 (0.50) CNR2TAAR1ALOX5MAP4K4RAB9A
SCHEMBL3721445 0.73 MAPT (0.45) CNR2TAAR1EGLN1MAP4K4RAB9A

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-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed