SCHEMBL14258609

SCHEMBL14258609

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

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.81
CNR2 P34972 2/20 0.68
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PARP1 P09874 3/20 0.49
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL3305857 0.89 CNR1 (1.00) CNR1CNR2PARP1
SCHEMBL14258623 0.88 CNR1 (0.83) CNR1CNR2ALDH1A1SMN1; SMN2PARP1
SCHEMBL4781853 0.88 CNR1 (0.70) CNR1CNR2ALDH1A1PARP1
SCHEMBL14258913 0.88 CNR1 (0.70) CNR1CNR2ALDH1A1PARP1
SCHEMBL14258938 0.84 CNR1 (0.66) CNR1CNR2ALDH1A1SMN1; SMN2HPGD
SCHEMBL14258617 0.84 CNR1 (0.66) CNR1CNR2ALDH1A1SMN1; SMN2HPGD
SCHEMBL14258935 0.84 CNR1 (0.63) CNR1CNR2ALDH1A1PARP1
SCHEMBL14258909 0.84 CNR1 (0.65) CNR1CNR2ALDH1A1SMN1; SMN2PARP1
SCHEMBL14258604 0.84 CNR1 (0.72) CNR1CNR2ALDH1A1SMN1; SMN2PARP1
SCHEMBL13329597 0.82 CNR1 (0.55) CNR1CNR2ALDH1A1HTTSMN1; SMN2

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