SCHEMBL7076745

SCHEMBL7076745

CC(C)(C)OC(=O)ON1CCC(O)(c2ccc(Cl)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.42
MCHR1 Q99705 1/20 0.37
DRD2 P14416 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
OPRK1 P41145 1/20 0.36
DRD4 P21917 1/20 0.35
PPIA P62937 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL6954245 0.87 ALDH1A1 (0.40) DRD2ALDH1A1LMNAMAPTKMT2A
SCHEMBL6041529 0.80 OPRL1 (0.47) OPRL1MCHR1OPRK1DRD4ALDH1A1
SCHEMBL6950592 0.77 KMT2A (0.44) DRD2ALDH1A1LMNAMAPTKMT2A
SCHEMBL7083199 0.75 REN (0.46) KMT2A
SCHEMBL7080187 0.75 CHRM3 (0.41) PPIA
SCHEMBL7082058 0.75 REN (0.48)
SCHEMBL6094891 0.74 OPRK1 (0.40) DRD2OPRK1KMT2A
SCHEMBL8306369 0.74 OPRK1 (0.40) DRD2OPRK1KMT2A
SCHEMBL6094894 0.74 OPRK1 (0.40) DRD2OPRK1KMT2A
Tert-Butyl Formate SCHEMBL27562187 0.74 SLC6A2 (0.42) OPRL1

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