SCHEMBL4405507

SCHEMBL4405507

CCCC1CC(=O)N(Cn2c(C3CCCO3)nc3cc(F)ccc32)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PER2 O15055 5/20 0.38
TBXA2R P21731 2/20 0.35
DHFR P00374 1/20 0.34
PDE1C Q14123 2/20 0.34
PDE1B Q01064 1/20 0.34
CNR2 P34972 4/20 0.33
TP53 P04637 3/20 0.33
CRY2 Q49AN0 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL661623 0.87 PER2 (0.42) PER2TBXA2RCNR2TP53CRY2
SCHEMBL1666151 0.81 PER2 (0.43) PER2TBXA2RTP53CRY2
SCHEMBL661075 0.80 PER2 (0.42) PER2TBXA2RCNR2CRY2
SCHEMBL662280 0.79 PER2 (0.44) PER2CNR2CRY2
SCHEMBL661691 0.78 PER2 (0.43) PER2CNR2CRY2
SCHEMBL664100 0.78 CCR3 (0.43) PER2TBXA2RCNR2CRY2
SCHEMBL662275 0.75 CNR2 (0.38) PER2CNR2TP53MAPTKDM4E
SCHEMBL4405451 0.74 PER2 (0.37) PER2TBXA2RTP53CRY2MAPT
SCHEMBL663094 0.74 PER2 (0.41) PER2TBXA2RCNR2CRY2
SCHEMBL661470 0.73 RORC (0.39) CNR2TP53MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed