SCHEMBL4357683

SCHEMBL4357683

CN1CCN(C(=O)c2ccc(-c3ccc4c(c3)COC(C3CCN(C(=O)O)CC3)O4)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HPGD P15428 2/20 0.42
ROCK2 O75116 1/20 0.41
L3MBTL3 Q96JM7 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
FASN P49327 2/20 0.39
CHKA P35790 1/20 0.39
GRM5 P41594 1/20 0.38
TNKS O95271 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4355595 0.94 POLB (0.54) POLBHPGDCYP2C9FASNGRM5
SCHEMBL4533028 0.90 HPGD (0.41) POLBHPGDL3MBTL3L3MBTL1ALDH1A1
SCHEMBL4536116 0.89 STAT3 (0.43) POLBHPGDROCK2BMPR1BBMPR1A
SCHEMBL4347885 0.88 GPR119 (0.37) POLBHPGDGPR119FASNGRM5
SCHEMBL4356808 0.88 SETD7 (0.45) POLBHPGDROCK2GPR119ALDH1A1
SCHEMBL13586034 0.87 ABL1 (0.46) POLBROCK2GPR119PTPN2PTPN1
SCHEMBL4538191 0.86 TNKS (0.41) ROCK2L3MBTL3L3MBTL1GPR119BMPR1B
SCHEMBL4520212 0.86 PTPN2 (0.47) POLBHPGDFASNALDH1A1SMN1; SMN2
SCHEMBL4535866 0.86 GPR119 (0.36) CYP2C9GPR119SMN1; SMN2
SCHEMBL4538463 0.85 NPY2R (0.39) ROCK2CYP2C9GPR119ALDH1A1KCNH2

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