SCHEMBL3650375

SCHEMBL3650375

Cc1ccccc1C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
THRB P10828 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
AR P10275 3/20 0.47
CHRM1 P11229 1/20 0.46
AVPR1A P37288 1/20 0.46
TP53 P04637 2/20 0.45

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
SCHEMBL3653569 1.00 USP2 (0.56) USP2HTTNPSR1SMN1; SMN2POLB
SCHEMBL3650956 1.00 USP2 (0.56) USP2HTTNPSR1SMN1; SMN2POLB
SCHEMBL13269945 1.00 USP2 (0.56) USP2HTTNPSR1SMN1; SMN2POLB
SCHEMBL3646521 0.95 USP2 (0.51) USP2HTTNPSR1SMN1; SMN2POLB
SCHEMBL3649109 0.95 USP2 (0.51) USP2HTTNPSR1SMN1; SMN2POLB
SCHEMBL3652551 0.91 USP2 (0.57) USP2HTTNPSR1SMN1; SMN2POLB
SCHEMBL3652555 0.91 USP2 (0.57) USP2HTTNPSR1SMN1; SMN2POLB
SCHEMBL13269898 0.91 USP2 (0.57) USP2HTTNPSR1SMN1; SMN2POLB
SCHEMBL4210320 0.91 CHRM1 (0.53) USP2HTTNPSR1SMN1; SMN2POLB
SCHEMBL3654931 0.91 USP2 (0.57) USP2HTTNPSR1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188266-B1 Novel piperazine amide derivatives HOFFMANN LA ROCHE (CH) 2012-10-17 EP claimed
EP-2188266-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-26 EP claimed
WO-2009021868-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO claimed
EP-2188266-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-26 EP disclosed
WO-2009021868-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO disclosed