SCHEMBL10070940

SCHEMBL10070940

CCCCOc1c(C(=O)NCc2ccc(F)cc2)nc2c(N3CCN(CC)CC3=O)cc(N(C)C)cn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.40
TP53 P04637 1/20 0.38
FAAH O00519 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2C9 P11712 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 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
SCHEMBL15101329 0.88 ENPP2 (0.39) CNR2TP53KCNH2CYP2C9SMN1; SMN2
SCHEMBL10070946 0.88 TP53 (0.40) CNR2TP53FAAHKCNH2CYP2C9
SCHEMBL10070927 0.86 TP53 (0.39) CNR2TP53FAAHKCNH2CYP2C9
SCHEMBL10070430 0.85 TP53 (0.39) CNR2TP53FAAHKCNH2CYP2C9
SCHEMBL12894201 0.81 CNR2 (0.35) CNR2TP53LMNAKMT2A
SCHEMBL10071005 0.81 ENPP2 (0.36) CNR2TP53KCNH2CYP2C9LMNA
SCHEMBL10070415 0.80 CNR2 (0.40) CNR2TP53CYP2C9POLBHPGD
SCHEMBL10070434 0.80 CNR2 (0.42) CNR2TP53FAAHPDE10ARXFP1
SCHEMBL367841 0.79 TP53 (0.39) TP53SMN1; SMN2LMNAKMT2A
SCHEMBL10070053 0.79 SMN1; SMN2 (0.42) CNR2TP53CYP2C9SMN1; SMN2LMNA

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
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO disclosed