SCHEMBL5237168

SCHEMBL5237168

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SLC6A7 Q99884 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ACACB O00763 4/20 0.33
OGA O60502 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPT P10636 2/20 0.31
GPR119 Q8TDV5 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5238374 0.85 GPR119 (0.34) NPC1RAB9ASLC6A7GPR119
SCHEMBL5237176 0.80 NPC1 (0.35) NPC1RAB9ASLC6A7MEN1KMT2A
SCHEMBL5236873 0.77 SLC6A7 (0.50) SLC6A7MAPT
SCHEMBL5237292 0.75 KDM4E (0.43) SLC6A7KDM4EGPR119ALDH1A1
SCHEMBL5238522 0.74 PANK3 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5238186 0.74 CYP2C19 (0.43) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL5236348 0.74 CHRNB2 (0.40)
SCHEMBL5235191 0.73 ALDH1A1 (0.47) KDM4EMAPTALDH1A1TSHRMAPK1
SCHEMBL5235184 0.73 PKM (0.46) SLC6A7KMT2AKDM4EACACBOGA
SCHEMBL5237139 0.72 RORC (0.37) RORC

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