SCHEMBL4355595

SCHEMBL4355595

CN1CCN(C(=O)c2ccc(-c3ccc4c(c3)COC(C3CCN(C(=O)c5ccccc5)CC3)O4)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
CYP2C9 P11712 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
GRM5 P41594 1/20 0.43
FASN P49327 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TNKS O95271 1/20 0.42
ACHE P22303 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MGLL Q99685 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
SCHEMBL4357683 0.94 POLB (0.48) POLBCYP2C9PTPN2PTPN1GRM5
SCHEMBL4520212 0.92 PTPN2 (0.47) POLBPTPN2PTPN1FASNALDH1A1
SCHEMBL13586060 0.90 SMN1; SMN2 (0.47) POLBPTPN2PTPN1ALDH1A1SMN1; SMN2
SCHEMBL4538215 0.90 PTPN2 (0.45) POLBPTPN2PTPN1ALDH1A1SMN1; SMN2
SCHEMBL4355462 0.89 POLB (0.42) POLBCYP2C9PTPN2PTPN1ALDH1A1
SCHEMBL13586029 0.89 PTPN2 (0.44) POLBPTPN2PTPN1GRM5FASN
SCHEMBL4356808 0.88 SETD7 (0.45) POLBALDH1A1CYP2C19HPGDLMNA
SCHEMBL4537918 0.88 PTPN2 (0.43) POLBPTPN2PTPN1ALDH1A1SMN1; SMN2
SCHEMBL4349922 0.88 PTPN2 (0.43) POLBPTPN2PTPN1ALDH1A1SMN1; SMN2
SCHEMBL4356473 0.88 PTPN2 (0.43) POLBPTPN2PTPN1ALDH1A1SMN1; SMN2

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 3 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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed