SCHEMBL6614532

SCHEMBL6614532

CN1C(=O)N(c2ccccc2)C(=O)CC1CN1CCC(Cc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.43
HTR1A P08908 2/20 0.43
SLC6A2 P23975 4/20 0.41
CCR3 P51677 1/20 0.41
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 3/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR6 P50406 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL6613548 0.91 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2DRD2ALDH1A1
SCHEMBL6614469 0.91 SLC6A4 (0.42) SLC6A4HTR1ASLC6A2ATM
SCHEMBL6619955 0.89 HTR1A (0.58) SLC6A4HTR1A
SCHEMBL6617933 0.88 HTR1A (0.47) SLC6A4HTR1ACCR3KCNH2ALDH1A1
SCHEMBL6617633 0.88 HTR1A (0.47) SLC6A4HTR1ACCR3DRD2DRD3
SCHEMBL6617668 0.86 SLC6A4 (0.46) SLC6A4HTR1ASLC6A2CCR3DRD2
SCHEMBL6420020 0.85 SLC6A4 (0.44) SLC6A4HTR1ASLC6A2CCR3DRD2
SCHEMBL6418595 0.85 SLC6A4 (0.44) SLC6A4HTR1ASLC6A2CCR3DRD2
SCHEMBL6614256 0.82 CCR3 (0.39) SLC6A4HTR1ASLC6A2CCR3DRD2
SCHEMBL6614326 0.81 SLC6A4 (0.42) SLC6A4HTR1ASLC6A2CCR3DRD2

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-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP disclosed