SCHEMBL4520359

SCHEMBL4520359

O=C(c1ccccc1)N1CCC(C2OCc3cc(Br)ccc3O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP2C19 P33261 1/20 0.43
MBTD1 Q05BQ5 2/20 0.43
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
TP53 P04637 1/20 0.41
EPHX1 P07099 1/20 0.41
NAMPT P43490 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
SCHEMBL4530032 0.88 ALDH1A1 (0.34) L3MBTL3ALDH1A1MBTD1PKMKMT2A
SCHEMBL4520212 0.84 PTPN2 (0.47) ALDH1A1CYP2C19KMT2A
SCHEMBL4355595 0.83 POLB (0.54) ACHEALDH1A1CYP2C19
SCHEMBL4357579 0.82 PTPN2 (0.44) ACHEALDH1A1CYP2C19KMT2A
SCHEMBL4529914 0.82 SMN1; SMN2 (0.49) ALDH1A1CYP2C19KMT2A
SCHEMBL13586029 0.82 PTPN2 (0.44) ALDH1A1CYP2C19KMT2A
SCHEMBL4537918 0.80 PTPN2 (0.43) ACHEALDH1A1CYP2C19
SCHEMBL13586060 0.80 SMN1; SMN2 (0.47) L3MBTL3ACHEALDH1A1CYP2C19KMT2A
SCHEMBL4349922 0.80 PTPN2 (0.43) ACHEALDH1A1CYP2C19
SCHEMBL4538215 0.80 PTPN2 (0.45) ACHEALDH1A1CYP2C19KMT2A

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed