SCHEMBL28064009

SCHEMBL28064009

N#Cc1ccnc(C2CCN(C(=O)O)CC2)c1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.37
FASN P49327 1/20 0.36
CDC42BPB Q9Y5S2 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
PROKR1 Q8TCW9 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
USP30 Q70CQ3 1/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
PDE10A Q9Y233 2/20 0.34
MGLL Q99685 1/20 0.34
MAPK7 Q13164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ELANE P08246 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
BTK Q06187 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
SCHEMBL20141858 0.72 DRD4 (0.48) SCD5PROKR1USP30BTK
SCHEMBL6276568 0.70 NPC1 (0.46) PDE10AMAPK7ALDH1A1
SCHEMBL1303713 0.70 PDE10A (0.39) TRPV1PDE10A
SCHEMBL9984684 0.70 PDE10A (0.39) TRPV1PDE10A
SCHEMBL9988573 0.70 PDE10A (0.43) SCD5TRPV1PDE10A
SCHEMBL31321221 0.69 GPR119 (0.53) KDM4E
SCHEMBL28063994 0.69 PDE10A (0.36) TRPV1PDE10AMAPK7ALDH1A1
SCHEMBL2596306 0.69 PDE10A (0.40) TRPV1PDE10A
SCHEMBL9988088 0.69 PDE10A (0.63) PDE10A
SCHEMBL6644012 0.68 HTR2C (0.40) PDE10AMAPK7

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
CN-105473554-A Fused piperidine amides as modulators of ion channels VERTEX PHARMA 2016-04-06 CN disclosed