SCHEMBL6617320

SCHEMBL6617320

COC(C)Oc1ccc(Br)c(CC2CCN(CC3CC(=O)N(c4ccccc4)C(=O)N3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.45
SLC6A4 P31645 20/20 0.45
CYP2D6 P10635 1/20 0.39

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
SCHEMBL6620065 0.91 HTR1A (0.52) HTR1ASLC6A4
SCHEMBL6618081 0.89 HTR1A (0.46) HTR1ASLC6A4CYP2D6
SCHEMBL6416617 0.88 HTR1A (0.47) HTR1ASLC6A4CYP2D6
SCHEMBL6618111 0.88 HTR1A (0.47) HTR1ASLC6A4CYP2D6
SCHEMBL6617323 0.87 HTR1A (0.45) HTR1ASLC6A4CYP2D6
SCHEMBL6411434 0.87 HTR1A (0.46) HTR1ASLC6A4CYP2D6
SCHEMBL6617273 0.86 HTR1A (0.56) HTR1ASLC6A4
SCHEMBL6613854 0.84 HTR1A (0.40) HTR1ASLC6A4CYP2D6
SCHEMBL6615662 0.84 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6412020 0.83 HTR1A (0.49) HTR1ASLC6A4CYP2D6

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