SCHEMBL21384397

SCHEMBL21384397

CCOC(=O)c1cccnc1N1CCN(C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.56
CHIA Q9BZP6 1/20 0.50
HSD11B1 P28845 1/20 0.50
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL7242387 0.88 MAPT (0.57) OPRK1CHIAHSD11B1MAPTLMNA
SCHEMBL29089138 0.85 POLB (0.56) OPRK1CHIAHSD11B1MAPTLMNA
SCHEMBL2454645 0.84 OPRK1 (0.57) OPRK1CHIAHSD11B1MAPTLMNA
SCHEMBL18394828 0.84 USP2 (0.58) OPRK1HSD11B1MAPTLMNAKMT2A
SCHEMBL2456713 0.83 PRMT1 (0.53) OPRK1HSD11B1LMNAHTR3EHTR3B
SCHEMBL12633125 0.82 OPRK1 (0.56) OPRK1CHIAHSD11B1MAPTLMNA
SCHEMBL8812104 0.82 NPSR1 (0.59) OPRK1CHIAHSD11B1MAPTLMNA
SCHEMBL7238361 0.80 OPRK1 (0.56) OPRK1CHIAHSD11B1MAPTLMNA
SCHEMBL1578863 0.79 MEN1 (0.45) MAPTKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL12194226 0.79 OPRK1 (0.53) OPRK1CHIAHSD11B1MAPTLMNA

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-3768669-A1 PIPERAZINE AZASPIRO DERIVAVES Pfizer Inc (US) 2021-01-27 EP disclosed
WO-2019183636-A1 PIPERAZINE AZASPIRO DERIVAVES PFIZER INC. (US) 2019-09-26 WO disclosed