SCHEMBL8314765

SCHEMBL8314765

Cc1ccc(CNCC2CCc3ccc4c(c3O2)CC(=O)N4)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.68
DRD3 P35462 6/20 0.68
DRD4 P21917 5/20 0.68
SLC6A4 P31645 6/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
PKM P14618 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL8312627 0.87 DRD2 (0.81) DRD2DRD3DRD4NFKB1NFKB2
SCHEMBL8312005 0.81 DRD2 (1.00) DRD2DRD3DRD4NFKB1NFKB2
SCHEMBL8314369 0.79 DRD2 (0.81) DRD2DRD3DRD4NFKB1NFKB2
SCHEMBL8314007 0.79 DRD2 (0.81) DRD2DRD3DRD4SLC6A4NFKB1
SCHEMBL8313970 0.79 DRD2 (0.77) DRD2DRD3DRD4NFKB1NFKB2
SCHEMBL8317510 0.74 DRD2 (0.64) DRD2DRD3DRD4SLC6A4HTR1D
SCHEMBL8643128 0.74 DRD2 (0.64) DRD2DRD3DRD4SLC6A4HTR1D
SCHEMBL8313621 0.74 DRD2 (0.53) DRD2DRD3DRD4SLC6A4HTR1D
SCHEMBL5957139 0.69 DRD2 (0.55) DRD2DRD3DRD4SLC6A4HTR2A
SCHEMBL23607588 0.64 MEN1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771801-B1 Chromane derivatives AMERICAN HOME PROD (US) 1999-03-03 EP claimed
EP-0771801-A1 Chromane derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP claimed
EP-0926146-A1 CHROMENE COMPOUNDS TOKUYAMA CORPORATION (JP) 1999-06-30 EP disclosed
EP-0771801-B1 Chromane derivatives AMERICAN HOME PROD (US) 1999-03-03 EP disclosed