SCHEMBL9435995

SCHEMBL9435995

COC(C#N)(c1ccccc1)C(C#N)(OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
CYP3A4 P08684 2/20 0.42
KCNN4 O15554 4/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
CES1 P23141 1/20 0.38
ATM Q13315 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 2/20 0.33

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
SCHEMBL13785277 0.88 ALDH1A1 (0.38) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL13785278 0.88 ALDH1A1 (0.38) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL10605210 0.88 MAPK1 (0.39) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL4160048 0.77 CYP2D6 (0.40) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL9414518 0.77 ALDH1A1 (0.46) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL6384303 0.74 CES1 (0.40) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL28330389 0.74 CYP2D6 (0.38) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL8532089 0.74 ATM (0.40) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL14101152 0.72 CYP2D6 (0.34) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL7825333 0.72 MAPK1 (0.36) CYP2D6DRD2DRD4OPRM1DRD3

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-0621886-A1 CROSSLINKING OF RUBBERS WITH ENGINEERING PLASTICS Akzo Nobel N.V. (NL) 1994-11-02 EP disclosed
WO-1993014155-A1 CROSSLINKING OF RUBBERS WITH ENGINEERING PLASTICS AKZO NOBEL N.V. (NL) 1993-07-22 WO disclosed