SCHEMBL6967770

SCHEMBL6967770

CC(=O)CN1CCCCC1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
KCNK3 O14649 1/20 0.34
CTSK P43235 3/20 0.34
SCN3A Q9NY46 1/20 0.34
EPHX1 P07099 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL6372054 0.84 POLB (0.39) POLBSPHK1SMN1; SMN2LMNACTSK
SCHEMBL28214652 0.84 POLB (0.39) POLBSPHK1SMN1; SMN2LMNASCN3A
SCHEMBL23279350 0.81 SMN1; SMN2 (0.44) POLBSPHK1SMN1; SMN2LMNAKCNK3
SCHEMBL6808603 0.81 SMN1; SMN2 (0.44) POLBSPHK1SMN1; SMN2LMNAKCNK3
SCHEMBL25574880 0.79 LMNA (0.37) LMNAKDM4E
SCHEMBL3969870 0.79 LMNA (0.52) POLBSPHK1SMN1; SMN2LMNAKCNK3
SCHEMBL20143218 0.79 LMNA (0.52) POLBSPHK1SMN1; SMN2LMNAKCNK3
SCHEMBL2177821 0.78 LMNA (0.46) SMN1; SMN2LMNAKDM4E
SCHEMBL27146149 0.78 POLB (0.43) POLBSPHK1LMNASCN3AMAOA
SCHEMBL27146148 0.78 POLB (0.43) POLBSPHK1LMNASCN3AMAOA

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 1 patent. 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