SCHEMBL5237176

SCHEMBL5237176

CCc1cnc(N2CCN(C(=O)O)C(CC=O)(NC)C2)nc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
OGA O60502 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
SLC6A7 Q99884 1/20 0.31
ACACB O00763 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL5238383 0.86 GPR119 (0.32) HDAC3HDAC1HDAC2HDAC8GPR119
SCHEMBL5237168 0.80 NPC1 (0.36) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5237297 0.79 KDM4E (0.40) KDM4ESLC6A7
SCHEMBL5236884 0.79 SLC6A7 (0.48) SLC6A7
SCHEMBL5238192 0.78 CYP2C19 (0.37) NPC1RAB9AMEN1KMT2A
SCHEMBL5236354 0.78 CHRNB2 (0.38)
SCHEMBL5237172 0.77 AOC3 (0.37)
SCHEMBL5235197 0.77 HSD17B10 (0.45) KDM4E
SCHEMBL5231485 0.76 HTR3A (0.44) HDAC1
SCHEMBL5235194 0.75 PKM (0.44) KMT2AKDM4EOGASLC6A7ACACB

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-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed