SCHEMBL4536182

SCHEMBL4536182

CC(C)(C)OC(=O)N1CCC(C2OCc3cc(Br)ccc3O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.45
FPR2 P25090 2/20 0.42
FPR3 P25089 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL4536134 0.84 GPR119 (0.42) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL9936121 0.84 GPR119 (0.47) GPR119FPR2FPR3PTPN2PTPN1
SCHEMBL4358178 0.83 GPR119 (0.51) GPR119PTPN2PTPN1PTPN6USP30
SCHEMBL4536702 0.83 GPR119 (0.49) GPR119PTPN2PTPN1PTPN6USP30
SCHEMBL4353381 0.82 GPR119 (0.54) GPR119PTPN2PTPN1PTPN6
SCHEMBL4353796 0.82 GPR119 (0.55) GPR119PTPN2PTPN1PTPN6
SCHEMBL4360506 0.81 GPR119 (0.47) GPR119PTPN2PTPN1PTPN6USP30
SCHEMBL4353589 0.81 PTPN2 (0.48) GPR119KDM4EPTPN2PTPN1PTPN6
SCHEMBL17545463 0.81 GPR119 (0.46) GPR119FPR2KDM4EMAPTTHRB
SCHEMBL4358492 0.80 GPR119 (0.53) GPR119PTPN2PTPN1PTPN6USP30

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