SCHEMBL2334849

SCHEMBL2334849

CC(C)(C)OC(=O)[C@@]1(CC(=O)O)CCCCN1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17395342 0.98 CYP2C19 (0.39) CYP2C19ARG1ARG2USP2ALDH1A1
SCHEMBL6170436 0.95 ARG1 (0.37) CYP2C19ARG1ARG2
SCHEMBL17395338 0.95 ARG1 (0.37) CYP2C19ARG1ARG2
SCHEMBL17395386 0.91 CYP2C19 (0.32) CYP2C19
SCHEMBL31603414 0.75 NPSR1 (0.33) CYP2C19ARG1ARG2LMNACYP1A2
SCHEMBL5730696 0.75 CTSK (0.34) ARG1ARG2ALDH1A1
SCHEMBL7978321 0.74
SCHEMBL8116636 0.74 ARG1 (0.40) ARG1ARG2
SCHEMBL26108087 0.73 CYP4F2 (0.30)
SCHEMBL7874343 0.73 CYP4F2 (0.30)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016003296-A1 (QUINOLINE OR ISOQUINOLINE)SULFONAMIDES OF CYCLIC AMINES AS ANTIPSYCHOTIC DRUGS INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2016-01-07 WO disclosed
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
EP-2358712-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2011-08-24 EP disclosed
EP-2358711-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2011-08-24 EP disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
WO-2010060470-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-06-03 WO disclosed
WO-2010060471-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-06-03 WO disclosed
EP-2176265-A1 IMIDAZO [1, 2-C]PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-04-21 EP disclosed
EP-2176258-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-04-21 EP disclosed
WO-2009003993-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed
WO-2009003997-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed