SCHEMBL6950592

SCHEMBL6950592

CC(C)(C)OC(=O)ON1CCC(O)(c2ccc(Cl)cc2)C(O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
DRD2 P14416 5/20 0.43
CCR1 P32246 1/20 0.39
CNR2 P34972 3/20 0.38
HSD11B1 P28845 3/20 0.36
CNR1 P21554 2/20 0.36
STS P08842 1/20 0.36
MEN1 O00255 3/20 0.36
SLC18A3 Q16572 1/20 0.34

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
SCHEMBL6959866 0.83 KMT2A (0.46) KMT2AALDH1A1LMNAMAPTCNR2
SCHEMBL6095235 0.81 KMT2A (0.47) KMT2AALDH1A1LMNAMAPTDRD2
SCHEMBL653312 0.81 KMT2A (0.47) KMT2AALDH1A1LMNAMAPTDRD2
SCHEMBL6095239 0.81 KMT2A (0.47) KMT2AALDH1A1LMNAMAPTDRD2
SCHEMBL8305744 0.81 KMT2A (0.47) KMT2AALDH1A1LMNAMAPTDRD2
SCHEMBL186884 0.81 DRD2 (0.59) KMT2AALDH1A1LMNAMAPTDRD2
SCHEMBL6954245 0.79 ALDH1A1 (0.40) KMT2AALDH1A1LMNAMAPTDRD2
SCHEMBL7076745 0.77 OPRL1 (0.42) KMT2AALDH1A1LMNAMAPTDRD2
SCHEMBL187383 0.76 DRD2 (0.45) KMT2ADRD2CCR1HSD11B1STS
SCHEMBL373688 0.75 DRD2 (0.45) KMT2ADRD2CCR1HSD11B1STS

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