Sugi Predict

Sugi Predict / Compounds / SCHEMBL324688

SCHEMBL324688

SCHEMBL324688

CCCN1CCOC(c2ccc(Oc3ccc(Cl)cc3C)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 8/20 0.52
▸ CNR2 P34972 1/20 0.46
▸ DRD4 P21917 6/20 0.42
▸ DRD2 P14416 2/20 0.41

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
SCHEMBL327124 0.87 CNR2 (0.44) DRD3CNR2
Hydrochloric Acid SCHEMBL323426 0.86 CNR2 (0.44) DRD3CNR2
SCHEMBL15153685 0.84 CNR2 (0.40) DRD3CNR2
SCHEMBL324317 0.84 DRD3 (0.55) DRD3CNR2DRD2
SCHEMBL324286 0.83 DRD3 (0.51) DRD3CNR2
SCHEMBL324578 0.78 DRD3 (0.57) DRD3CNR2DRD4DRD2
SCHEMBL324080 0.77 RXRB (0.44) DRD3CNR2
SCHEMBL323875 0.76 DRD3 (0.55) DRD3CNR2DRD2
Hydrochloric Acid SCHEMBL323211 0.76 RXRB (0.43) DRD3CNR2
SCHEMBL15484487 0.76 DRD3 (0.53) DRD3CNR2DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590954-B1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-04-13 — — EP disclosed
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 — — EP disclosed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 — — WO disclosed