SCHEMBL3469600

SCHEMBL3469600

COc1ccccc1-c1cnc2c(N3CCN(CCO)CC3)nccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.46
PDE6A P16499 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE3A Q14432 1/20 0.46
FLT3 P36888 8/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 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
SCHEMBL3473549 0.82 PDE5A (0.67) PDE5APDE6APDE1BPDE3AMEN1
SCHEMBL3467929 0.75 DYRK3 (0.57) FLT3MEN1KMT2ACYP2D6KDM4E
SCHEMBL3469421 0.72 FLT3 (0.54) FLT3
SCHEMBL5404980 0.72 MAPT (0.41) PDE5APDE6APDE1BPDE3AKMT2A
SCHEMBL5404986 0.70 FLT3 (0.52) FLT3CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL3470436 0.68 TTK (0.52) FLT3
SCHEMBL10075921 0.68 HTR7 (0.54) HSD17B10DRD2HTR1AHTR7LMNA
SCHEMBL7497109 0.68 DRD2 (0.59) DRD2HTR2AKDM4EALDH1A1TDP1
SCHEMBL3470660 0.68 FYN (0.54) PDE5APDE6APDE1BPDE3AFLT3
SCHEMBL1193073 0.68 DRD2 (0.75) MEN1KMT2ACYP1A2CYP2C19DRD2

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-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed