SCHEMBL5198260

SCHEMBL5198260

CS(=O)(=O)OCC1(c2ccccc2)CCN(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.45
HSD11B1 P28845 3/20 0.44
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
APP P05067 4/20 0.42
OPRM1 P35372 1/20 0.41
KCNA3 P22001 1/20 0.41

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
SCHEMBL18586121 0.88 HSD11B1 (0.41) TACR1HSD11B1OPRM1
SCHEMBL3151727 0.86 TACR1 (0.59) TACR1
SCHEMBL5380076 0.83 HSD11B1 (0.48) TACR1HSD11B1CHRM5CHRM1CHRM3
SCHEMBL9370329 0.81 DPP4 (0.44) TACR1CHRM1
SCHEMBL8120644 0.81 DPP4 (0.49) TACR1CHRM1
SCHEMBL15861819 0.80 SLC6A4 (0.50) TACR1CHRM1
SCHEMBL23089137 0.78 SLC6A9 (0.37) APP
SCHEMBL2425376 0.76 HSD11B1 (0.58) TACR1HSD11B1OPRM1KCNA3
SCHEMBL17886652 0.76 TACR1 (0.53) TACR1
SCHEMBL5196781 0.75 OPRL1 (0.40) CHRM5CHRM1CHRM3OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773796-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006021655-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed