SCHEMBL4781853

SCHEMBL4781853

O=C(O)[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C2CCCC2)CC4)C1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.70
CNR2 P34972 2/20 0.59
PARP1 P09874 4/20 0.49
KCNH2 Q12809 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL14258913 1.00 CNR1 (0.70) CNR1CNR2PARP1KCNH2POLB
SCHEMBL14258623 0.89 CNR1 (0.83) CNR1CNR2PARP1KCNH2POLB
SCHEMBL14258909 0.89 CNR1 (0.65) CNR1CNR2PARP1KCNH2POLB
SCHEMBL14258609 0.88 CNR1 (0.81) CNR1CNR2PARP1ALDH1A1
SCHEMBL14258617 0.87 CNR1 (0.66) CNR1CNR2POLBALDH1A1LMNA
SCHEMBL14258938 0.87 CNR1 (0.66) CNR1CNR2POLBALDH1A1LMNA
SCHEMBL14258935 0.85 CNR1 (0.63) CNR1CNR2PARP1POLBALDH1A1
SCHEMBL14258604 0.83 CNR1 (0.72) CNR1CNR2PARP1POLBALDH1A1
SCHEMBL3305857 0.83 CNR1 (1.00) CNR1CNR2PARP1KCNH2
SCHEMBL14258615 0.77 CNR1 (0.70) CNR1CNR2PARP1POLBALDH1A1

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-2008036021-A1 TETRAHYDRO-LH-PYRIDO [3,4 -B] INDOLE DERIVATIVES AS CBL RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2008-03-27 WO disclosed