SCHEMBL6616780

SCHEMBL6616780

CCOc1ccc(Br)c(CC2CCN(CC3CC(=O)N(Cc4ccccc4)C(=O)N3C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.50
SLC6A4 P31645 19/20 0.50
CYP2D6 P10635 3/20 0.47
MAOB P27338 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
SCHEMBL6618489 0.92 HTR1A (0.61) HTR1ASLC6A4
SCHEMBL6614573 0.91 SLC6A4 (0.51) HTR1ASLC6A4CYP2D6MAOB
SCHEMBL6614593 0.90 HTR1A (0.50) HTR1ASLC6A4CYP2D6
SCHEMBL6614539 0.87 SLC6A4 (0.46) HTR1ASLC6A4
SCHEMBL6614192 0.87 HTR1A (0.47) HTR1ASLC6A4CYP2D6
SCHEMBL6414833 0.87 HTR1A (0.52) HTR1ASLC6A4CYP2D6
SCHEMBL6413108 0.87 HTR1A (0.52) HTR1ASLC6A4CYP2D6MAOB
SCHEMBL6616969 0.86 HTR1A (0.44) HTR1ASLC6A4
SCHEMBL6616238 0.84 HTR1A (0.49) HTR1ASLC6A4CYP2D6MAOB
SCHEMBL6615550 0.82 HTR1A (0.47) 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