SCHEMBL4533028

SCHEMBL4533028

O=C(O)N1CCC(C2OCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc3O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
JAK2 O60674 1/20 0.41
PIK3CA P42336 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ERN1 O75460 2/20 0.40
PHGDH O43175 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 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
SCHEMBL4357683 0.90 POLB (0.48) HPGDL3MBTL3L3MBTL1ALDH1A1POLB
SCHEMBL4351323 0.89 HRH3 (0.45) HPGDHRH3ALDH1A1
SCHEMBL4347885 0.88 GPR119 (0.37) HPGDPIK3CAALDH1A1KMT2APOLB
SCHEMBL4540972 0.86 GPR119 (0.47) ABL1RIN1KMT2A
SCHEMBL4540460 0.86 SMN1; SMN2 (0.43) HPGDPIK3CAALDH1A1
SCHEMBL4520212 0.86 PTPN2 (0.47) HPGDPIK3CAALDH1A1KMT2APOLB
SCHEMBL4535866 0.86 GPR119 (0.36) PIK3CAHRH3
SCHEMBL4355595 0.84 POLB (0.54) HPGDALDH1A1POLB
SCHEMBL13586029 0.83 PTPN2 (0.44) HPGDPIK3CAALDH1A1KMT2APOLB
SCHEMBL4538463 0.83 NPY2R (0.39) ERN1HRH3ALDH1A1

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