SCHEMBL9368683

SCHEMBL9368683

CCCCCN1CC(CO)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.56
GBA1 P04062 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PRKCD Q05655 4/20 0.39
GBA2 Q9HCG7 6/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL9869264 0.98 BRD4 (0.54) BRD4GBA1L3MBTL1MEN1CYP2C19
SCHEMBL28499610 0.98 BRD4 (0.54) BRD4GBA1L3MBTL1MEN1CYP2C19
SCHEMBL11623610 0.95 BRD4 (0.58) BRD4GBA1L3MBTL1MEN1CYP2C19
SCHEMBL9368747 0.83 GBA1 (0.42) BRD4GBA1L3MBTL1MEN1CYP2C19
SCHEMBL3745079 0.77 CHRM2 (0.45) GBA1L3MBTL1MEN1CYP2C19KMT2A
SCHEMBL25101221 0.77 BRD4 (0.56) BRD4GBA1L3MBTL1CYP2C19KMT2A
SCHEMBL28497027 0.76 GBA1 (0.47) GBA1L3MBTL1MEN1CYP2C19KMT2A
SCHEMBL8292876 0.75 POLB (0.58) GBA1L3MBTL1MEN1CYP2C19KMT2A
SCHEMBL8084223 0.74 POLB (0.56) GBA1L3MBTL1MEN1CYP2C19KMT2A
SCHEMBL14477954 0.74 POLB (0.56) GBA1L3MBTL1MEN1CYP2C19KMT2A

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-0589971-A1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-04-06 EP disclosed
WO-1992022527-A2 3-SUBSTITUTED PYRROLIDINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1992-12-23 WO disclosed