SCHEMBL6617264

SCHEMBL6617264

COc1ccc(Cl)c(CC2CCN(CC3CC(=O)N(C4CCCCC4)C(=O)N3C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.52
SLC6A4 P31645 18/20 0.52
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CCR3 P51677 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL6615659 0.91 HTR1A (0.42) HTR1ASLC6A4
SCHEMBL6616160 0.91 HTR1A (0.43) HTR1ASLC6A4CCR3
SCHEMBL6612883 0.89 SLC6A4 (0.53) HTR1ASLC6A4
SCHEMBL6614256 0.89 CCR3 (0.39) HTR1ASLC6A4OPRM1OPRK1OPRL1
SCHEMBL6615686 0.87 SLC6A4 (0.37) HTR1ASLC6A4OPRM1OPRK1OPRL1
SCHEMBL6415277 0.86 HTR1A (0.52) HTR1ASLC6A4OPRM1OPRK1OPRL1
SCHEMBL6412814 0.86 HTR1A (0.52) HTR1ASLC6A4OPRM1OPRK1OPRL1
SCHEMBL6615651 0.84 HTR1A (0.49) HTR1ASLC6A4OPRM1OPRK1CCR3
SCHEMBL6619955 0.83 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL6616119 0.82 HTR1A (0.62) HTR1ASLC6A4CCR3

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