SCHEMBL3721702

SCHEMBL3721702

CCC(C(=O)O)N1CCc2ccccc2CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MTNR1B P49286 2/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
POLB P06746 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOTUM Q6P988 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ACE P12821 2/20 0.43
HHAT Q5VTY9 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
SLC6A4 P31645 1/20 0.41
SIGMAR1 Q99720 2/20 0.41

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
Hydrochloric Acid SCHEMBL3719659 0.98 LMNA (0.44) LMNAMTNR1BSLC6A2SLC6A3POLB
SCHEMBL4828036 0.92 KDM4E (0.50) LMNAPOLBTAAR1L3MBTL1NOTUM
SCHEMBL9850594 0.83 PTAFR (0.57) LMNAMTNR1BSLC6A2SLC6A3MAPT
Hydrochloric Acid SCHEMBL9850511 0.82 PTAFR (0.56) LMNAMTNR1BSLC6A2SLC6A3MAPT
SCHEMBL11621424 0.80 SLC6A2 (0.48) LMNASLC6A2POLBL3MBTL1NOTUM
SCHEMBL1953187 0.79 DPP7 (0.47) SLC6A2SLC6A3ALDH1A1MAPTSLC6A4
SCHEMBL1462833 0.79 LMNA (0.42) LMNASLC6A2SLC6A3POLBKDM4E
SCHEMBL3397713 0.79 KMT2A (0.59) LMNASLC6A3POLBL3MBTL1KDM4E
SCHEMBL3102765 0.78
SCHEMBL3719812 0.77 KDM4E (0.54) LMNANOTUMKDM4EALDH1A1TSHR

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-2222669-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP claimed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO claimed
EP-2222669-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed