SCHEMBL6959778

SCHEMBL6959778

CC(C)(C)OC(=O)ON1CCC(c2ccc(F)cc2)C(OCc2ccccc2C#N)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.35
KCNH2 Q12809 2/20 0.35
RORC P51449 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
BRD4 O60885 1/20 0.34
HSD11B1 P28845 1/20 0.34
DRD2 P14416 1/20 0.34
AR P10275 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
AOC3 Q16853 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL6959815 0.93 TACR1 (0.39) TACR1KCNH2RORCBRD4DPP4
SCHEMBL6950788 0.87 MEN1 (0.33) TACR1RORCBRD4GPR119
SCHEMBL6952394 0.86 NPC1 (0.47) BRD4
SCHEMBL27503245 0.85 TACR1 (0.40) TACR1KCNH2BRD4DPP4FAP
SCHEMBL7079945 0.81 DRD2 (0.35) DRD2
SCHEMBL6041821 0.81 HSD11B1 (0.41) TACR1KCNH2RORCBRD4HSD11B1
SCHEMBL7081100 0.80 PRMT5 (0.33) TACR1HTR2AHTR2C
SCHEMBL7078323 0.80 REN (0.45)
SCHEMBL6952748 0.79 TACR1 (0.35) TACR1RORCBRD4GPR119
SCHEMBL6952166 0.79 REN (0.41) HTR2A

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed