SCHEMBL8553276

SCHEMBL8553276

CSC1CC(=O)N1CCCOc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 2/20 0.46
PLA2G7 Q13093 1/20 0.45
ALOX12 P18054 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 3/20 0.41
KCNA3 P22001 2/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL8110096 0.79 SIGMAR1 (0.48) TSHRSIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL8552234 0.76 PLA2G7 (0.46) RAB9ASMN1; SMN2MAPTPLA2G7ALOX12
SCHEMBL8553771 0.70 TMEM97 (0.44) RAB9ASMN1; SMN2MAPTPLA2G7ALOX12
SCHEMBL10037922 0.67 PLA2G7 (0.48) RAB9APLA2G7ALOX12NPC1L3MBTL1
SCHEMBL19091219 0.66 RAB9A (0.79) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL8094868 0.65 HMOX1 (0.42) ALDH1A1NPC1SIGMAR1L3MBTL1
SCHEMBL14795046 0.65 POLB (0.61) RAB9ASMN1; SMN2MAPTALOX12ALDH1A1
SCHEMBL7033807 0.65 HTR1A (0.80) SMN1; SMN2ALDH1A1KDM4ETMEM97SIGMAR1
SCHEMBL6946206 0.64 KDM4E (0.65) SMN1; SMN2ALDH1A1KDM4ETMEM97SIGMAR1
SCHEMBL7299163 0.63 RAB9A (1.00) RAB9ASMN1; SMN2MAPTALDH1A1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP claimed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO claimed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed