SCHEMBL17892197

SCHEMBL17892197

NC(CC1CCCC1)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.45
DPEP1 P16444 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
POLB P06746 1/20 0.37
HTR2A P28223 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
AAK1 Q2M2I8 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
SCHEMBL5453640 0.92 DPP4 (0.40) GCKDPEP1DPP4POLBHTR2A
SCHEMBL22867975 0.81 METAP2 (0.45) NPC1RAB9AKMT2ASLC6A2SLC6A4
SCHEMBL10349212 0.81 METAP2 (0.43) DPP4
SCHEMBL22868100 0.80 METAP2 (0.47) NPC1RAB9AKMT2ASLC6A2SLC6A4
SCHEMBL9009370 0.79 METAP2 (0.46)
SCHEMBL28672429 0.79 METAP2 (0.46)
SCHEMBL28660567 0.79 METAP2 (0.46)
SCHEMBL12927229 0.79 METAP2 (0.46)
SCHEMBL7898573 0.79 METAP2 (0.46)
SCHEMBL17892144 0.79 CHRNB2 (0.43) SLC6A2SLC6A4SLC6A3

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
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed