SCHEMBL4781855

SCHEMBL4781855

O=C(O)N1CCCC[C@H]1[C@@H](O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLB Q8NCG7 1/20 0.46
ADAM17 P78536 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
GHSR Q92847 1/20 0.42
PTGES O14684 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40

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
SCHEMBL4781860 1.00 DAGLB (0.46) DAGLBADAM17CYP1A2CYP3A4CYP2C9
SCHEMBL4725342 0.88 HPGD (0.41) MEN1KMT2ACYP17A1
SCHEMBL5230465 0.87 FAAH (0.43) CYP1A2CYP3A4CYP2C19KDM4EMEN1
SCHEMBL8224323 0.84 GPR119 (0.51) DAGLBADAM17CYP1A2CYP3A4CYP2C9
SCHEMBL8222689 0.82 CHRNB4 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19DPP4
SCHEMBL3076594 0.80 LMNA (0.44) DPP4KDM4E
SCHEMBL3076592 0.80 LMNA (0.44) DPP4KDM4E
SCHEMBL4725326 0.80 OPRD1 (0.38) DAGLBADAM17MKNK1MKNK2DPP4
SCHEMBL4776201 0.80 ROCK2 (0.42) DAGLBADAM17SCD
SCHEMBL4776197 0.80 ROCK2 (0.42) DAGLBADAM17SCD

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-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed