SCHEMBL4235022

SCHEMBL4235022

CC(C)Oc1cc(CN2CCC(C3CC(N(N)c4ncc(-c5cccnc5)cn4)CCN3c3ncc(-c4cccnc4)cn3)CC2)cc(OC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.37
CYP3A4 P08684 4/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
GMNN O75496 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
PMP22 Q01453 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
FAAH O00519 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 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
SCHEMBL4225165 0.91 MKNK2 (0.35) SSTR5CYP3A4DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4223228 0.87 SSTR5 (0.36) SSTR5CYP3A4DRD2DRD4DRD3
SCHEMBL4230353 0.85 SSTR5 (0.39) SSTR5DRD2DRD4DRD3MKNK1
SCHEMBL4233683 0.85 SSTR5 (0.37) SSTR5CYP3A4DRD2DRD4DRD3
SCHEMBL4237977 0.85 SSTR5 (0.39) SSTR5DRD2DRD4DRD3MKNK1
SCHEMBL4232812 0.83 SSTR5 (0.38) SSTR5DRD2DRD4DRD3MKNK1
SCHEMBL4233365 0.83 SSTR5 (0.39) SSTR5DRD2DRD4DRD3ALDH1A1
SCHEMBL4231315 0.82 SSTR5 (0.43) SSTR5ALDH1A1HCRTR1HCRTR2NPSR1
SCHEMBL4234813 0.82 SSTR5 (0.40) SSTR5CYP3A4DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4232796 0.78 PAX8 (0.35) SSTR5CYP3A4DRD2DRD4DRD3

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 disclosed