SCHEMBL4050604

SCHEMBL4050604

CC(C)Oc1cc(CN2CCC(c3ccnc(N)n3)CC2)cc(OC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.47
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 4/20 0.41
FAAH O00519 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 2/20 0.39
CCR5 P51681 1/20 0.39
PDE2A O00408 2/20 0.37
ROCK1 Q13464 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL28775007 0.76 FAAH (0.49) SSTR5DRD2DRD4DRD3FAAH
SCHEMBL1748104 0.76 SSTR5 (0.45) SSTR5DRD2DRD4DRD3FAAH
SCHEMBL1748632 0.74 ALDH1A1 (0.50) SSTR5DRD2DRD4DRD3FAAH
SCHEMBL1877448 0.73 SSTR5 (0.42) SSTR5DRD2DRD4DRD3FAAH
SCHEMBL27704318 0.73 SSTR5 (0.47) SSTR5DRD2DRD4DRD3CYP3A4
SCHEMBL3770087 0.72 SSTR5 (0.56) SSTR5FAAHHRH3ALDH1A1
SCHEMBL1748228 0.72 SSTR5 (0.56) SSTR5FAAHHRH3
SCHEMBL27733028 0.71 SSTR5 (0.48) SSTR5DRD2DRD4DRD3FAAH
SCHEMBL1870580 0.71 SSTR5 (0.56) SSTR5FAAHHRH3ALDH1A1ROCK1
SCHEMBL3782674 0.70 SSTR5 (0.60) SSTR5DRD2DRD4DRD3FAAH

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-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP claimed