SCHEMBL14258604

SCHEMBL14258604

O=C(O)c1ccc2[nH]c3c(c2c1)CN(C1CCCC1)CC3

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.72
CNR2 P34972 1/20 0.60
KMT2A Q03164 1/20 0.56
POLB P06746 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
PARP1 P09874 4/20 0.47
BAZ2B Q9UIF8 5/20 0.45
HTR1B P28222 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.43

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
SCHEMBL14258615 0.87 CNR1 (0.70) CNR1CNR2KMT2APOLBHSD17B10
SCHEMBL14258623 0.87 CNR1 (0.83) CNR1CNR2POLBMAPTL3MBTL1
SCHEMBL3305857 0.84 CNR1 (1.00) CNR1CNR2PARP1
SCHEMBL14258609 0.84 CNR1 (0.81) CNR1CNR2KMT2AALDH1A1PARP1
SCHEMBL14258913 0.83 CNR1 (0.70) CNR1CNR2POLBMAPTL3MBTL1
SCHEMBL4781853 0.83 CNR1 (0.70) CNR1CNR2POLBMAPTL3MBTL1
SCHEMBL14259953 0.81 CNR1 (0.61) CNR1CNR2KMT2APOLBHSD17B10
SCHEMBL3720419 0.79 POLB (0.74) KMT2APOLBHSD17B10MAPTTDP1
SCHEMBL13329695 0.78 BAZ2B (0.61) CNR1CNR2KMT2APOLBMAPT
SCHEMBL3724918 0.78 L3MBTL1 (0.62) CNR1CNR2KMT2AMAPTTDP1

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 2 patents. 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
WO-2008036022-A1 TETRAHYDRO-LH-PYRIDO[3,4-B] INDOLE DERIVATIVES AS CB1 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2008-03-27 WO disclosed