SCHEMBL8539666

SCHEMBL8539666

CC(C)(COCc1ccccc1)OC(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
TACR1 P25103 1/20 0.42
LMNA P02545 1/20 0.42
STS P08842 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM5 P41594 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
GPR119 Q8TDV5 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
SCHEMBL7817122 0.82 GHSR (0.47) SMN1; SMN2NPC1RAB9ASTSHTT
SCHEMBL7382762 0.80 PREP (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7367008 0.79 PREP (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Benzylamine SCHEMBL8028466 0.78 STS (0.51) MEN1KMT2ASMN1; SMN2STSGPR119
SCHEMBL7331294 0.77 NPC1 (0.57) NPSR1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL16372360 0.77 OPRD1 (0.42) RAB9ATACR1CYP2C19GPR119
SCHEMBL6987676 0.77 GAA (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL24859872 0.77 TACR1 (0.52) MEN1KMT2ASMN1; SMN2TACR1STS
SCHEMBL7334052 0.76 ALDH1A1 (0.51) KMT2ASMN1; SMN2TDP1GRM5MAPK1
SCHEMBL7366153 0.76 KDM4E (0.46) KMT2ASMN1; SMN2LMNATDP1MAPK1

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-0861244-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997018201-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed