SCHEMBL7259071

SCHEMBL7259071

COCC(=O)C(Br)c1ccccc1.Nc1[nH]c(=O)c(C(=O)NCC2CCN(C(C(=O)O)c3ccccc3)CC2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.40
DRD4 P21917 8/20 0.40
DRD3 P35462 7/20 0.40
HRH1 P35367 3/20 0.38
CCR3 P51677 3/20 0.38
KCNH2 Q12809 2/20 0.38
HTR4 Q13639 7/20 0.38

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
SCHEMBL6328290 0.89 HRH1 (0.44) DRD2DRD4DRD3HRH1CCR3
SCHEMBL6334766 0.81 DRD4 (0.44) DRD2DRD4DRD3KCNH2HTR4
SCHEMBL6336355 0.76 DRD2 (0.39) DRD2DRD4DRD3HTR4
SCHEMBL6327323 0.76 GRIN1 (0.43) DRD2DRD4DRD3KCNH2HTR4
SCHEMBL7259547 0.76 GRIN1 (0.40) DRD2DRD4DRD3KCNH2HTR4
SCHEMBL6334076 0.75 KCNH2 (0.43) DRD2DRD4DRD3KCNH2HTR4
SCHEMBL6336361 0.75 DRD2 (0.41) DRD2DRD4DRD3HTR4
SCHEMBL6329269 0.74 DRD2 (0.58) DRD2DRD4DRD3HTR4
SCHEMBL6329579 0.72 HTR4 (0.54) HTR4
SCHEMBL6328985 0.72 HTR4 (0.41) DRD2DRD4DRD3KCNH2HTR4

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
WO-2003057688-A2 OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-07-17 WO disclosed