Sugi Predict

Sugi Predict / Compounds / SCHEMBL4194933

SCHEMBL4194933

SCHEMBL4194933

COc1cc(CCN2CCC(CCOc3ccccc3)CC2)ccc1Cl.Cc1cccc(CCN2CCC(CCOc3ccccc3)CC2)c1.Clc1cccc(CCN2CCC(CCOc3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ HTR1A P08908 2/20 0.48
▸ SLC6A4 P31645 2/20 0.48

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
SCHEMBL2157270 0.90 DRD2 (0.55) KCNH2DRD2DRD4HTR1ASLC6A4
SCHEMBL2158157 0.85 KCNH2 (0.63) KCNH2DRD2HTR1ASLC6A4
SCHEMBL2157625 0.85 KCNH2 (0.63) KCNH2HTR1ASLC6A4
SCHEMBL1332075 0.81 ABCB1 (0.61) KCNH2DRD2DRD4HTR1ASLC6A4
SCHEMBL1333820 0.79 HTR1A (0.71) KCNH2HTR1ASLC6A4
SCHEMBL12164948 0.79 BCHE (0.55) KCNH2DRD2DRD4
SCHEMBL1334166 0.78 HTR1A (0.57) KCNH2DRD2DRD4HTR1ASLC6A4
SCHEMBL1333853 0.77 ABCB1 (0.55) DRD2DRD4
SCHEMBL1332723 0.77 HTR1A (0.58) KCNH2DRD2DRD4HTR1ASLC6A4
SCHEMBL1333268 0.76 HTR1A (0.55) KCNH2DRD2DRD4HTR1ASLC6A4

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-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 — — EP disclosed
EP-1976525-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-08 — — EP disclosed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 — — WO disclosed