SCHEMBL4036675

SCHEMBL4036675

C=CCNC(=O)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.49
USP2 O75604 2/20 0.46
CHRM5 P08912 1/20 0.43

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
SCHEMBL4040978 0.89 ALDH1A1 (0.47) ALDH1A1GAAUSP2CHRM5
SCHEMBL4035266 0.89 ALDH1A1 (0.47) ALDH1A1GAAUSP2CHRM5
SCHEMBL4033038 0.89 ALDH1A1 (0.47) ALDH1A1GAAUSP2CHRM5
SCHEMBL4037945 0.89 ALDH1A1 (0.47) ALDH1A1GAAUSP2CHRM5
SCHEMBL4034701 0.86 ALDH1A1 (0.49) ALDH1A1GAAUSP2CHRM5
SCHEMBL4036669 0.86 ALDH1A1 (0.49) ALDH1A1GAA
SCHEMBL4042590 0.85 CHRM1 (0.43) ALDH1A1GAAUSP2CHRM5
SCHEMBL4033586 0.81 ALDH1A1 (0.55) ALDH1A1GAAUSP2
SCHEMBL4036877 0.81 ALDH1A1 (0.52) ALDH1A1GAAUSP2CHRM5
SCHEMBL4035740 0.79 ALDH1A1 (0.51) ALDH1A1GAAUSP2

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed