SCHEMBL9360742

SCHEMBL9360742

O=C(CSc1ccc2cc(O)c(O)cc2c1)NCCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.49
DRD3 P35462 10/20 0.49
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL9360297 0.77 ACHE (0.53) DRD2DRD3DRD4HTR2AHTR7
SCHEMBL9360735 0.77 DRD2 (0.45) DRD2DRD3DRD4HTR2AHTR7
SCHEMBL9360715 0.70 MAPT (0.56) CA1CA2
SCHEMBL21663684 0.69 DRD2 (0.56) DRD2DRD3DRD4HTR2AHTR7
SCHEMBL22252849 0.68 ACHE (0.78) DRD2DRD3DRD4HTR2AHTR7
SCHEMBL7395278 0.66 ACHE (0.69) DRD2DRD3DRD4HTR2AHTR7
SCHEMBL7102137 0.66 ADRA1A (0.48) DRD2DRD3DRD4HTR2AHTR7
SCHEMBL7100693 0.66 ADRA1A (0.48) DRD2DRD3DRD4HTR2AHTR7
SCHEMBL16227246 0.65 ACHE (0.68) DRD2DRD3DRD4HTR2AHTR7
SCHEMBL9249869 0.65 ACHE (0.68) DRD2DRD3DRD4HTR2AHTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed