SCHEMBL21535010

SCHEMBL21535010

CCC(F)(CC)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
WDR5 P61964 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
LIPE Q05469 1/20 0.38
SCN9A Q15858 3/20 0.38
GPR119 Q8TDV5 2/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
ATM Q13315 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL15538347 0.92 PIK3CA (0.45) HCRTR1HCRTR2WDR5SCN9APIK3CA
SCHEMBL15538344 0.92 PIK3CA (0.45) HCRTR1HCRTR2WDR5SCN9APIK3CA
SCHEMBL15539839 0.92 PIK3CA (0.45) HCRTR1HCRTR2WDR5SCN9APIK3CA
SCHEMBL20053592 0.91 HCRTR1 (0.40) HCRTR1HCRTR2WDR5LIPEGPR119
SCHEMBL18848898 0.89 MTOR (0.43) HCRTR1HCRTR2WDR5LIPESCN9A
SCHEMBL21043258 0.89 MTOR (0.43) HCRTR1HCRTR2WDR5LIPESCN9A
SCHEMBL15538191 0.87 RARA (0.42) WDR5LIPEGPR119ATM
SCHEMBL18849078 0.86 HCRTR1 (0.40) HCRTR1HCRTR2WDR5LIPEGPR119
SCHEMBL15539856 0.85 PIK3CA (0.44) HCRTR1HCRTR2WDR5SCN9AGPR119
SCHEMBL15538162 0.85 PIK3CA (0.44) HCRTR1HCRTR2WDR5SCN9AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed