SCHEMBL6614192

SCHEMBL6614192

CCOc1ccc(Br)c(CC2CCN(CC3CC(=O)N(c4ccccc4)C(=O)N3C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.47
SLC6A4 P31645 18/20 0.47
CYP2D6 P10635 2/20 0.47

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
SCHEMBL6615354 0.91 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL6617933 0.90 HTR1A (0.47) HTR1ASLC6A4CYP2D6
SCHEMBL6614964 0.90 HTR1A (0.48) HTR1ASLC6A4CYP2D6
SCHEMBL6616780 0.87 HTR1A (0.50) HTR1ASLC6A4CYP2D6
SCHEMBL6417905 0.86 HTR1A (0.48) HTR1ASLC6A4CYP2D6
SCHEMBL6411061 0.86 HTR1A (0.48) HTR1ASLC6A4CYP2D6
SCHEMBL6614469 0.86 SLC6A4 (0.42) HTR1ASLC6A4CYP2D6
SCHEMBL6614583 0.86 SLC6A4 (0.42) HTR1ASLC6A4
SCHEMBL6615550 0.84 HTR1A (0.47) HTR1ASLC6A4CYP2D6
SCHEMBL6617746 0.84 HTR1A (0.46) 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