SCHEMBL7084975

SCHEMBL7084975

CC(C)(C)OC(=O)ON1CCC(c2ccc(Cc3nnc(-c4ccccc4)o3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.40
RAB9A P51151 2/20 0.39
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 1/20 0.37
HDAC1 Q13547 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR55 Q9Y2T6 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
SCHEMBL7082870 0.94 REN (0.40) RENRAB9AMAPTKDM4EALDH1A1
SCHEMBL7080921 0.93 REN (0.46) RENRAB9AMAPTALDH1A1NPC1
SCHEMBL7075025 0.87 REN (0.52) RENRAB9ANPC1SMN1; SMN2
SCHEMBL7082058 0.85 REN (0.48) REN
SCHEMBL6042844 0.85 REN (0.42) RENRAB9AHDAC6MAPTHDAC1
SCHEMBL7078212 0.84 REN (0.47) REN
SCHEMBL7083199 0.84 REN (0.46) REN
SCHEMBL7082065 0.84 REN (0.40) REN
SCHEMBL7075608 0.83 REN (0.48) REN
SCHEMBL7080440 0.83 REN (0.46) 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