SCHEMBL14865440

SCHEMBL14865440

CCC(C)[C@@H](C(=O)OC)N(C)C(=O)c1cc2c(n(Cc3ccc(C#N)cc3)c1=O)CCCCCC2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.53
CNR1 P21554 12/20 0.53
NLRP3 Q96P20 1/20 0.37
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2746852 0.80 CNR2 (0.66) CNR2CNR1USP2CYP3A4CYP2D6
SCHEMBL5517661 0.79 CNR2 (0.61) CNR2CNR1NLRP3
SCHEMBL2746581 0.79 CNR2 (0.61) CNR2CNR1NLRP3
SCHEMBL5523964 0.75 CNR2 (0.61) CNR2CNR1
SCHEMBL5524770 0.74 CNR2 (0.65) CNR2CNR1
SCHEMBL2746529 0.74 CNR2 (0.65) CNR2CNR1
SCHEMBL14865404 0.73 CNR2 (0.64) CNR2CNR1
SCHEMBL5524798 0.71 CNR2 (0.67) CNR2CNR1
SCHEMBL2746039 0.70 CNR2 (0.56) CNR2CNR1
SCHEMBL2746668 0.70 CNR1 (0.60) CNR2CNR1LMNAMAPTTSHR

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-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed