SCHEMBL6955508

SCHEMBL6955508

O=C(O)ON1CCC(O)(c2ccc(=O)[nH]c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.34
DRD3 P35462 7/20 0.34
DRD4 P21917 6/20 0.34
TRPV6 Q9H1D0 2/20 0.34
TRPV5 Q9NQA5 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
GRIN2B Q13224 1/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL6041455 0.81 KMT2A (0.38) DRD2DRD3DRD4KMT2AMEN1
SCHEMBL8781677 0.74 ALDH1A1 (0.36) DRD2TRPV6TRPV5KMT2AHRH3
SCHEMBL7589972 0.72 DRD2 (0.53) DRD2TRPV6TRPV5KMT2AOPRM1
SCHEMBL8781567 0.71 ALDH1A1 (0.34) DRD2TRPV6TRPV5OPRM1OPRK1
SCHEMBL20751420 0.67 PRKAB2 (0.39) KMT2AGRIN2BALDH1A1
SCHEMBL6956779 0.65 CHRNB2 (0.43) KMT2AMEN1OPRL1GRIN2BALDH1A1
SCHEMBL25433642 0.65 SLC6A2 (0.33) DRD2ALDH1A1
SCHEMBL29111308 0.63 DRD2 (0.56) DRD2KMT2AMEN1OPRM1OPRK1
SCHEMBL4069282 0.62 CYP3A4 (0.32) KMT2AMEN1ALDH1A1
SCHEMBL4072998 0.61 OTUD7B (0.44)

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