SCHEMBL5540543

SCHEMBL5540543

CC1(CN2CCC(C(=O)O)CC2)CO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
APLNR P35414 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 3/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LTA4H P09960 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
SCHEMBL5540549 1.00 SMN1; SMN2 (0.37) SMN1; SMN2TSHRLMNAL3MBTL1APLNR
SCHEMBL20951641 0.81 WNT1 (0.43) SMN1; SMN2TSHRLMNAL3MBTL1APLNR
SCHEMBL6010839 0.80 MAPT (0.50) SMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL27629407 0.80 MAPT (0.50) SMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL5539739 0.75 PIK3CD (0.35) L3MBTL1KDM4ENPSR1
SCHEMBL5539741 0.75 PIK3CD (0.35) L3MBTL1KDM4ENPSR1
SCHEMBL6010589 0.74 NEK2 (0.32)
SCHEMBL6010595 0.74 NEK2 (0.32)
SCHEMBL28795878 0.73 TSHR (0.37) TSHRALDH1A1KDM4EHPGDNPSR1
SCHEMBL28015759 0.72 CHRM3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed