SCHEMBL5222101

SCHEMBL5222101

O[C@@H](COc1ccc2oc(-c3ccccc3)nc2c1)CN1C[CH]N(c2cccc3c2OCCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TLR9 Q9NR96 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4864526 0.81 CYP3A4 (0.51) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL4040185 0.76 PKM (0.49) PKMSMN1; SMN2TLR9KDM4EALDH1A1
SCHEMBL5901370 0.76 PKM (0.49) PKMSMN1; SMN2TLR9KDM4EALDH1A1
SCHEMBL5965265 0.76 PKM (0.49) PKMSMN1; SMN2TLR9KDM4EALDH1A1
SCHEMBL5223653 0.76 HTR1A (0.40) PRMT5WDR77MAPTPKMCYP1A2
SCHEMBL5228451 0.75 PRMT5 (0.41) PRMT5WDR77CYP1A2CYP3A4CYP2C9
SCHEMBL6206447 0.75 SMN1; SMN2 (0.43) MAPTPKMCYP1A2CYP3A4CYP2C9
SCHEMBL5227545 0.75 SMN1; SMN2 (0.43) MAPTPKMCYP1A2CYP3A4CYP2C9
SCHEMBL5224914 0.75 PRMT5 (0.41) PRMT5WDR77CYP1A2CYP3A4CYP2C9
SCHEMBL5225944 0.74 TLR7 (0.40) PRMT5WDR77CYP1A2CYP3A4CYP2C9

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
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed