SCHEMBL16094094

SCHEMBL16094094

O=C(O)N1CCCC(Oc2cc(Cl)ncc2Br)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
DGAT2 Q96PD7 5/20 0.36
JAK3 P52333 1/20 0.36
IKBKB O14920 1/20 0.36
HMOX1 P09601 1/20 0.36
SCD O00767 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PROKR1 Q8TCW9 1/20 0.35
CYP4A11 Q02928 2/20 0.35
CYP4F2 P78329 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CYP11B2 P19099 2/20 0.35

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
SCHEMBL17418062 0.85 PDE4B (0.46)
SCHEMBL17418061 0.85 PDE4B (0.46)
SCHEMBL30606154 0.75 IKBKB (0.38) IKBKBSCD
SCHEMBL26598674 0.75 IKBKB (0.38) IKBKBSCD
SCHEMBL25245764 0.74 HSD11B1 (0.40) JAK3HMOX1CYP4A11CYP4F2
SCHEMBL25298562 0.74 HSD11B1 (0.40) JAK3HMOX1CYP4A11CYP4F2
SCHEMBL15124813 0.72 FFAR4 (0.38) TAAR1NPC1RAB9ACYP4A11CYP4F2
SCHEMBL3506878 0.72 FFAR4 (0.38) TAAR1NPC1RAB9ACYP4A11CYP4F2
SCHEMBL5274039 0.72 MMP1 (0.44) PROKR1CYP4A11CYP4F2LIPG
SCHEMBL3505172 0.72 FFAR4 (0.38) TAAR1NPC1RAB9ACYP4A11CYP4F2

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-2968280-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed