SCHEMBL4972292

SCHEMBL4972292

Ic1ccn([C@H]2CC[C@H](N3CCOCC3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
OPRL1 P41146 2/20 0.38
IRAK4 Q9NWZ3 11/20 0.37
JAK1 P23458 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL15825704 0.83
SCHEMBL5801362 0.81 HTR3E (0.37) SIGMAR1L3MBTL3L3MBTL1KDM1AIRAK4
SCHEMBL30791081 0.81 L3MBTL3 (0.41) SIGMAR1L3MBTL3L3MBTL1KDM1AMAOB
SCHEMBL26101147 0.76 SIGMAR1 (0.36) SIGMAR1
SCHEMBL27568268 0.76 SIGMAR1 (0.39) SIGMAR1
SCHEMBL28752476 0.75 SMYD3 (0.34) SIGMAR1
SCHEMBL28752475 0.75 SMYD3 (0.34) SIGMAR1
SCHEMBL5800638 0.73 GAA (0.40) SIGMAR1L3MBTL3L3MBTL1
SCHEMBL28757061 0.73 SIGMAR1 (0.36) SIGMAR1JAK1
SCHEMBL19988061 0.72 ALDH1A1 (0.35) SIGMAR1L3MBTL1

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-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 EP disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 WO disclosed