SCHEMBL8540464

SCHEMBL8540464

CCCCN(OS(C)(=O)=O)C(=O)N(C)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.45
LSS P48449 1/20 0.42
SLC9A1 P19634 1/20 0.40
F10 P00742 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP19A1 P11511 1/20 0.37
HTT P42858 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
HPGD P15428 1/20 0.37
MMP1 P03956 2/20 0.36
PDE4A P27815 1/20 0.35

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
SCHEMBL9589831 0.85 LSS (0.42) GPR119LSSSLC9A1F10HTR2A
SCHEMBL8540462 0.81 GPR119 (0.45) GPR119LSSSLC9A1F10HTR2A
SCHEMBL8540635 0.78 GPR119 (0.48) GPR119LSSSLC9A1F10HTR2A
SCHEMBL8536398 0.76 LSS (0.46) GPR119LSSSLC9A1F10HTR2A
SCHEMBL8536395 0.73 LSS (0.46) GPR119LSSSLC9A1F10HTR2A
SCHEMBL9524466 0.73 LSS (0.53) GPR119LSSSLC9A1HTR2AHTR2C
SCHEMBL8534514 0.72 HTR2A (0.51) GPR119LSSSLC9A1F10HTR2A
SCHEMBL9589824 0.72 EPHX2 (0.46) GPR119LSSSLC9A1F10HTR2A
SCHEMBL8535599 0.71 LSS (0.50) GPR119LSSSLC9A1F10HTR2A
SCHEMBL8534116 0.71 LSS (0.49) GPR119LSSSLC9A1HTR2AHTR2C

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
EP-0537201-B1 1-[4-(IMIDAZOL-1-YL)BENZOYL]PIPERIDINE DERIVATIVES AS ANTIARRHYTHMIC AGENTS SCHERING AG (DE) 1998-11-18 EP disclosed
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US disclosed