SCHEMBL6614632

SCHEMBL6614632

O=C1CC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)NC(=O)N1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.40
HTR1A P08908 6/20 0.40
SLC6A2 P23975 4/20 0.40
ATM Q13315 2/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 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
DRD2 P14416 1/20 0.35
DRD4 P21917 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
SCHEMBL6614527 0.91 SLC6A4 (0.43) SLC6A4HTR1ASLC6A2ACHEDRD2
SCHEMBL6614326 0.90 SLC6A4 (0.42) SLC6A4HTR1ASLC6A2ATMACHE
SCHEMBL6616511 0.89 SLC6A4 (0.40) SLC6A4HTR1AATM
SCHEMBL6617273 0.86 HTR1A (0.56) SLC6A4HTR1A
SCHEMBL6615932 0.86 ALDH1A1 (0.44) SLC6A4HTR1ASLC6A2ATMACHE
SCHEMBL6617746 0.85 HTR1A (0.46) SLC6A4HTR1AALDH1A1KDM4EMAPT
SCHEMBL6416092 0.85 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2ATMACHE
SCHEMBL6410143 0.85 SLC6A4 (0.41) SLC6A4HTR1ASLC6A2ATMACHE
SCHEMBL6618081 0.84 HTR1A (0.46) SLC6A4HTR1A
SCHEMBL6614469 0.81 SLC6A4 (0.42) SLC6A4HTR1ASLC6A2ATM

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