SCHEMBL15324048

SCHEMBL15324048

C1C[C]2C[C@@H](N3CCOCC3)C[C@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A4 P31645 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
CYP2A13 Q16696 1/20 0.32
OPRL1 P41146 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
IRAK4 Q9NWZ3 3/20 0.30

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
SCHEMBL14635725 0.73
SCHEMBL14636172 0.69
SCHEMBL131067 0.68 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL3L3MBTL1KDM1AMAOB
SCHEMBL1827648 0.66 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL3L3MBTL1CYP2A13OPRL1
SCHEMBL9425142 0.66 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL3L3MBTL1CYP2A13OPRL1
SCHEMBL26112778 0.65 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL3L3MBTL1KDM1AMAOB
SCHEMBL26112782 0.65 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL3L3MBTL1KDM1AMAOB
SCHEMBL3168997 0.65
SCHEMBL132222 0.64 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL3L3MBTL1OPRL1HRH3
SCHEMBL35550 0.64 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL3L3MBTL1OPRL1HRH3

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
WO-2013149376-A1 CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-10-10 WO claimed
WO-2013149376-A1 CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-10-10 WO disclosed