SCHEMBL4235014

SCHEMBL4235014

CC(C)Oc1cc(CN2CCC(N(c3ncc(-c4cccnc4)cn3)C3CCN(Nc4ncc(-c5cccnc5)cn4)CC3)CC2)cc(OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.41
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GMNN O75496 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PMP22 Q01453 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SMO Q99835 1/20 0.36
FAAH O00519 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL4225160 0.90 CYP11B1 (0.39) SSTR5DRD2DRD4DRD3LMNA
SCHEMBL4234621 0.86 SSTR5 (0.44) SSTR5DRD2DRD4DRD3LMNA
SCHEMBL3774524 0.84 SSTR5 (0.53) SSTR5DRD2DRD4DRD3LMNA
SCHEMBL4233676 0.83 SSTR5 (0.41) SSTR5DRD2DRD4DRD3LMNA
SCHEMBL4237972 0.83 SSTR5 (0.43) SSTR5DRD2DRD4DRD3MKNK1
SCHEMBL4230348 0.83 SSTR5 (0.43) SSTR5DRD2DRD4DRD3SMO
SCHEMBL4232806 0.81 SSTR5 (0.43) SSTR5DRD2DRD4DRD3SMO
SCHEMBL4235018 0.81 SSTR5 (0.41) SSTR5DRD2DRD4DRD3LMNA
SCHEMBL4233361 0.81 SSTR5 (0.44) SSTR5DRD2DRD4DRD3ALDH1A1
SCHEMBL4231309 0.80 SSTR5 (0.48) SSTR5ALDH1A1ACHEBACE1POLB

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