SCHEMBL1584562

SCHEMBL1584562

CC(C)(C)C1C(=O)N(CC2CCC2)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.33
RIPK1 Q13546 2/20 0.31
OPRM1 P35372 2/20 0.31
FPR2 P25090 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
CYP1A2 P05177 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRM2 Q14416 1/20 0.30
CNR2 P34972 1/20 0.30
BDKRB2 P30411 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
SCHEMBL2265666 0.77 PIK3CD (0.44) P2RX7
SCHEMBL1817592 0.66 RIPK1 (0.33) RIPK1
SCHEMBL2487318 0.65 LMNA (0.34) RIPK1
SCHEMBL5171227 0.65 CNR1 (0.35) FPR2CNR2BDKRB2
SCHEMBL892512 0.64 CHRM5 (0.41) P2RX7FPR2GRM2CNR2BDKRB2
SCHEMBL3325115 0.64 HTT (0.39) OPRM1FPR2CYP1A2GRM2
SCHEMBL1942989 0.62 TSHR (0.41) KCNH2
SCHEMBL12776319 0.62 RAB9A (0.50)
SCHEMBL168896 0.61 POLB (0.32)
SCHEMBL15720462 0.61

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-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 WO disclosed