SCHEMBL13284775

SCHEMBL13284775

OCC1CN(Cc2cccc3cc[nH]c23)CCO1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 16/20 0.70
▸ SIGMAR1 Q99720 1/20 0.42
▸ DRD2 P14416 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ HTR1A P08908 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL13284394 0.73 DRD4 (0.50) DRD4HTR1AHTR1DHTR1B
SCHEMBL22619011 0.72 DRD2 (0.53) DRD4SIGMAR1DRD2DRD3HTR1A
SCHEMBL352001 0.71 DRD4 (0.71) DRD4DRD2DRD3
SCHEMBL1877824 0.71 DRD4 (0.71) DRD4DRD2DRD3
SCHEMBL5695486 0.71 DRD4 (0.71) DRD4DRD2DRD3
SCHEMBL27249809 0.69 DRD4 (0.42) DRD4DRD2DRD3
SCHEMBL27249808 0.69 DRD4 (0.42) DRD4DRD2DRD3
SCHEMBL28256636 0.69 L3MBTL1 (0.56) DRD4DRD2HTR1AHTR1DHTR1B
SCHEMBL28791958 0.67 DRD4 (0.45) DRD4HTR1AHTR1DHTR1B
SCHEMBL22121721 0.66 DRD4 (0.52) DRD4DRD2DRD3

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-2010077976-A2 PROKINETICIN RECEPTOR ANTAGONISTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 — — WO disclosed
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