SCHEMBL9007737

SCHEMBL9007737

O=S(=O)(Oc1ccc2c(c1-c1cccc3c1CCCC3)CCCC2)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.48
DRD3 P35462 5/20 0.42
HTR1D P28221 2/20 0.42
CES1 P23141 3/20 0.37
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD4 P21917 3/20 0.34
HTR5A P47898 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34

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
SCHEMBL7030007 0.88 DRD2 (0.41) DRD2DRD3HTR1DCES1
SCHEMBL1820878 0.82 DRD2 (0.53) DRD2DRD3HTR1DBCL2L1BAD
SCHEMBL3113928 0.79 DRD2 (0.53) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL16812540 0.78 DRD2 (0.35) DRD2DRD3HTR1DCES1
SCHEMBL7107742 0.77 DRD2 (0.36) DRD2DRD3HTR1DCES1DRD4
SCHEMBL23336944 0.77 DRD2 (0.38) DRD2DRD3HTR1DCES1DRD4
SCHEMBL7027415 0.76 DRD2 (0.37) DRD2DRD3HTR1DCES1DRD4
SCHEMBL1506665 0.76 DRD2 (0.37) DRD2DRD3HTR1DCES1DRD4
SCHEMBL14930999 0.75 DRD2 (0.48) DRD2BCL2L1BAD
SCHEMBL31673866 0.75 BCL2L1 (0.44) DRD2CES1BCL2L1BAD

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
US-5530150-A HAVING PHOSPHINE AND PHOSPHITE GROUPS IN SAME MOLECULE; CATALYST SELECTIVITY TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-06-25 US disclosed