SCHEMBL6426288

SCHEMBL6426288

CCCCCCC(=O)NC1CCN(CCCOc2cccc3c2C(=O)C(=C(C)C)O3)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.48
CNR1 P21554 6/20 0.48
CCR1 P32246 1/20 0.47
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
S1PR5 Q9H228 1/20 0.41
CHRM1 P11229 2/20 0.41
GSK3B P49841 7/20 0.40

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
SCHEMBL6462625 0.87 SIGMAR1 (0.52) DRD2HTR2ACHRM1
SCHEMBL6458570 0.85 POLB (0.49) DRD2HTR2ACHRM1
SCHEMBL6457124 0.84 ADRA1D (0.50) DRD2HTR2ADRD3
SCHEMBL6466592 0.83 HTR7 (0.55) DRD2HTR2ADRD3
SCHEMBL6462987 0.83 HTR7 (0.47)
SCHEMBL6462598 0.82 HTR7 (0.54) DRD2HTR2ADRD3
SCHEMBL6465657 0.82 HTR7 (0.57) DRD2DRD3
SCHEMBL6458101 0.82 HTR7 (0.54) DRD2HTR2ADRD3
SCHEMBL6461236 0.82 HTR7 (0.46) CHRM1
SCHEMBL6470095 0.82 EPHX2 (0.40) DRD2HTR2AS1PR5

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-1012147-B1 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed