SCHEMBL3248208

SCHEMBL3248208

Clc1ccccc1-c1ccc(N2CCN(c3ccccn3)CC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.71
CNR1 P21554 1/20 0.59
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL3237827 0.83 CNR2 (0.56) CNR2KDM4EALDH1A1HSD17B10BCHE
SCHEMBL3249571 0.83 CNR2 (1.00) CNR2CNR1
SCHEMBL9987126 0.82 CNR2 (0.66) CNR2CNR1
SCHEMBL3242112 0.80 CNR2 (0.56) CNR2CNR1KDM4EALDH1A1HSD17B10
SCHEMBL10899223 0.77 CNR2 (0.62) CNR2CNR1
SCHEMBL15800694 0.76 PLD1 (0.73) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL21353591 0.76
SCHEMBL29857922 0.76 PLD1 (0.73) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL22495380 0.74 PLD1 (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6927450 0.73 CNR2 (0.49) CNR2KDM4EHSD17B10HPGDSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed