SCHEMBL6959366

SCHEMBL6959366

COc1ccc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.41
TACR1 P25103 4/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDGFRA P16234 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
TSHR P16473 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
MCHR1 Q99705 1/20 0.38
PAX8 Q06710 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 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
SCHEMBL7077253 0.89 REN (0.40) TACR1PDGFRAS1PR1S1PR5
SCHEMBL6960467 0.89 ALDH1A1 (0.43) BCL9CTNNB1LMNAALDH1A1
SCHEMBL6952166 0.85 REN (0.41) MEN1KMT2AMCHR1
SCHEMBL6042930 0.84 UBE2M (0.44) CCR2TACR1BCL9CTNNB1LMNA
SCHEMBL6954247 0.84 REN (0.42) LMNAMEN1KMT2AALDH1A1
SCHEMBL6954378 0.83 REN (0.41) MEN1KMT2AALDH1A1
SCHEMBL7074891 0.82 REN (0.48)
SCHEMBL6956608 0.80 TACR1 (0.41) TACR1KMT2A
SCHEMBL7083199 0.79 REN (0.46) MEN1KMT2A
SCHEMBL7082058 0.79 REN (0.48)

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