SCHEMBL5224914

SCHEMBL5224914

O[C@@H](COc1ccc2oc(-c3ccccc3)nc2c1)CN1C[CH]N([C@H]2CCc3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 7/20 0.41
WDR77 Q9BQA1 7/20 0.41
ACSL1 P33121 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CHRNA7 P36544 1/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR7 P34969 1/20 0.39
TLR9 Q9NR96 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5228451 1.00 PRMT5 (0.41) PRMT5WDR77ACSL1ALDH1A1CHRNA7
SCHEMBL5225944 0.90 TLR7 (0.40) PRMT5WDR77ACSL1ALDH1A1CHRNA7
SCHEMBL4865782 0.82 CYP3A4 (0.48) CYP1A2CYP3A4CYP2C9
SCHEMBL4863473 0.82 CYP3A4 (0.48) CYP1A2CYP3A4CYP2C9
SCHEMBL4856191 0.79 CYP1A2 (0.47) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4866031 0.79 CYP1A2 (0.47) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL5227545 0.78 SMN1; SMN2 (0.43) ALDH1A1KDM4EPOLBTLR9CYP1A2
SCHEMBL6206447 0.78 SMN1; SMN2 (0.43) ALDH1A1KDM4EPOLBTLR9CYP1A2
SCHEMBL5901370 0.77 PKM (0.49) ACSL1ALDH1A1CHRNA7KDM4EPOLB
SCHEMBL5965265 0.77 PKM (0.49) ACSL1ALDH1A1CHRNA7KDM4EPOLB

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