SCHEMBL7078091

SCHEMBL7078091

CC(C)(C)OC(=O)ON1CCC(c2ccc(OCc3nc(-c4cccnc4)no3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.64
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
GPR119 Q8TDV5 1/20 0.39
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 2/20 0.38
PSMB5 P28074 2/20 0.37
PSMB8 P28062 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7079998 0.93 REN (0.62) RENGPR119FFAR1
SCHEMBL7080785 0.88 REN (0.51) RENPOLBMAPTPSMB5KMT2A
SCHEMBL7077232 0.87 REN (0.50) RENFFAR1
SCHEMBL7075025 0.87 REN (0.52) RENGPR119
SCHEMBL7080728 0.86 REN (0.49) RENPOLBMAPTFFAR1PSMB5
SCHEMBL7081341 0.86 REN (0.51) RENMAPTGPR119FFAR1
SCHEMBL6043084 0.86 REN (0.70) RENPOLBMAPTKDM4EFFAR1
SCHEMBL7080921 0.83 REN (0.46) RENPOLBMAPTALDH1A1KMT2A
SCHEMBL7079873 0.83 REN (0.46) RENMAPT
SCHEMBL7081694 0.83 REN (0.53) REN

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