SCHEMBL6970227

SCHEMBL6970227

N/C(=N\OC(=O)COC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.42
DPP7 Q9UHL4 1/20 0.39
SMYD3 Q9H7B4 2/20 0.39
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
BCHE P06276 1/20 0.37
FKBP1A P62942 2/20 0.37
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6962479 0.73 FKBP1A (0.39) FKBP1A
SCHEMBL6962467 0.73 FKBP1A (0.39) FKBP1A
SCHEMBL6967183 0.72 JAK2 (0.32) SMYD3FKBP1A
SCHEMBL6958233 0.72 JAK2 (0.32) SMYD3FKBP1A
SCHEMBL6965719 0.72 FKBP1A (0.37) MEN1KMT2AFKBP1A
SCHEMBL6965713 0.72 FKBP1A (0.37) MEN1KMT2AFKBP1A
SCHEMBL6964692 0.72 OPRK1 (0.45) OPRK1TSHRFKBP1A
SCHEMBL6962473 0.72 OPRK1 (0.45) OPRK1TSHRFKBP1A
SCHEMBL6964491 0.71 KDM4E (0.35) SMYD3
SCHEMBL7234984 0.71 L3MBTL1 (0.31) SMYD3MEN1KMT2AL3MBTL1

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-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP disclosed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US disclosed