SCHEMBL5726893

SCHEMBL5726893

O=C(O)N1CCC(C(=O)O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
OPRM1 P35372 3/20 0.47
KMT2A Q03164 3/20 0.47
TET3 O43151 1/20 0.47
FBXL19 Q6PCT2 1/20 0.47
CXXC5 Q7LFL8 1/20 0.47
TET1 Q8NFU7 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
CXXC4 Q9H2H0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
CCR2 P41597 1/20 0.45
AKR1C1 Q04828 1/20 0.45
APP P05067 1/20 0.45
CNR2 P34972 1/20 0.44
CHRM4 P08173 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
OPRL1 P41146 3/20 0.43

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
SCHEMBL696251 0.87 AKR1C3 (0.67) AKR1C3AKR1C2OPRM1KMT2ACCR2
SCHEMBL16319663 0.86 AKR1C3 (0.49) AKR1C3AKR1C2KMT2ATET3FBXL19
SCHEMBL2925749 0.85 OPRM1 (0.63) OPRM1KMT2ACHRM4OPRL1OPRD1
SCHEMBL8747120 0.84 AKR1C3 (0.60) AKR1C3AKR1C2OPRM1CCR2AKR1C1
SCHEMBL3116411 0.84 AKR1C3 (0.60) AKR1C3AKR1C2OPRM1CCR2AKR1C1
SCHEMBL2931546 0.84 OPRM1 (0.47) OPRM1KMT2ACCR2CNR2CHRM4
SCHEMBL3594500 0.82 OPRM1 (0.48) OPRM1KMT2ACCR2CNR2CHRM4
SCHEMBL4814133 0.81 OPRM1 (0.45) OPRM1KMT2ACCR2CHRM4POLB
SCHEMBL3126554 0.81 OPRL1 (0.62) AKR1C3AKR1C2OPRM1KMT2ACHRM4
SCHEMBL1626570 0.81 AKR1C3 (0.56) AKR1C3AKR1C2OPRM1CCR2AKR1C1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
EP-1513836-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed