SCHEMBL4413985

SCHEMBL4413985

CCCC1CC(=O)N(Cn2c(-c3c(C)nn(C)c3Cl)nc3cc(F)ccc32)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PER2 O15055 5/20 0.37
RPS6KA5 O75582 1/20 0.32
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
TBXA2R P21731 4/20 0.31
CRY2 Q49AN0 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4405451 0.84 PER2 (0.37) PER2RPS6KA5AGTR1AGTR2MAPT
SCHEMBL1666151 0.83 PER2 (0.43) PER2RPS6KA5AGTR1AGTR2TP53
SCHEMBL661075 0.78 PER2 (0.42) PER2AGTR1AGTR2TBXA2RCRY2
SCHEMBL661623 0.77 PER2 (0.42) PER2MAPTTP53TBXA2RCRY2
SCHEMBL662280 0.77 PER2 (0.44) PER2RPS6KA5AGTR1AGTR2CRY2
SCHEMBL664100 0.76 CCR3 (0.43) PER2AGTR1AGTR2TBXA2RCRY2
SCHEMBL661691 0.76 PER2 (0.43) PER2AGTR1AGTR2CRY2
SCHEMBL2748869 0.75 PER2 (0.41) PER2RPS6KA5AGTR1AGTR2TP53
SCHEMBL12000450 0.74 P2RX3 (0.38) PER2ALDH1A1POLB
SCHEMBL4405507 0.73 PER2 (0.38) PER2MAPTTP53TBXA2RCRY2

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