SCHEMBL1014027

SCHEMBL1014027

CCCCOC(=O)N1CC2CC1CN2c1cc(F)c(C(C)=O)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 1/20 0.36
FAAH O00519 1/20 0.36
RORC P51449 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ECE1 P42892 1/20 0.34
MAP3K13 O43283 4/20 0.34
MAP3K12 Q12852 4/20 0.34
MAPT P10636 1/20 0.33
ESR1 P03372 2/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL1017739 0.80 GPR119 (0.44) FAAHRORCHDAC1GPR119
SCHEMBL11963475 0.72 MAP3K13 (0.39) ECE1MAP3K13MAP3K12MAPTLMNA
SCHEMBL8435167 0.70 GBA2 (0.43) GBA2L3MBTL1ECE1LMNAPOLB
SCHEMBL1365825 0.69 HDAC1 (0.42) MAP3K13MAP3K12HDAC1GPR119
SCHEMBL22346683 0.67 GBA2 (0.43) GBA2ECE1LMNAPOLBSMN1; SMN2
SCHEMBL29639440 0.67 GBA2 (0.50) GBA2KDM4EMAPK1L3MBTL1ECE1
SCHEMBL1367540 0.66 HDAC1 (0.41) GBA2MAP3K13MAP3K12HDAC1GPR119
SCHEMBL20139230 0.66 MAPT (0.51) MAPTLMNAALDH1A1
SCHEMBL19211049 0.65 RARA (0.36) KDM4EMAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL1017524 0.65 RORC (0.44) FAAHRORC

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-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed