SCHEMBL6954745

SCHEMBL6954745

O=C(O)ON1CCC(c2cccc(C(F)(F)F)c2)C(O)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
EPHX2 P34913 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
HTR2C P28335 3/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
RPS6KB1 P23443 1/20 0.39
AKT1 P31749 1/20 0.39
PDGFRA P16234 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
DRD2 P14416 1/20 0.39
CHRM4 P08173 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
GRIN2B Q13224 1/20 0.38
SLC18A2 Q05940 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
SCHEMBL6956608 0.87 TACR1 (0.41) NOTUMHTR2CHTR2AHTR2BRPS6KB1
SCHEMBL6954026 0.82 SLC18A3 (0.51) CHRM4
SCHEMBL6044035 0.82 NOTUM (0.45) NOTUMEPHX2UBE2MDCUN1D1HTR2C
SCHEMBL6952756 0.78 HTT (0.42)
SCHEMBL27904780 0.76 RPS6KB1 (0.47) NOTUMHTR2CHTR2AHTR2BRPS6KB1
SCHEMBL6952186 0.76 SLC6A3 (0.40) NOTUMSIGMAR1
SCHEMBL6953373 0.75 MEN1 (0.41)
SCHEMBL6950896 0.74 RIPK1 (0.45)
SCHEMBL6959529 0.74 KMT2A (0.40)
SCHEMBL6960338 0.74 MEN1 (0.43)

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed