SCHEMBL5556546

SCHEMBL5556546

CCC(=O)Nc1ccc2c(c1)CCN(C(=O)O)CC2CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
PRKACA P17612 1/20 0.40

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
SCHEMBL5244518 0.90 MEN1 (0.33) RAB9ASMN1; SMN2KDM4EPOLBNAMPT
SCHEMBL5243261 0.89 HTR1A (0.41) RAB9ASMN1; SMN2NAMPTHTR1AMEN1
SCHEMBL5242810 0.88 MEN1 (0.34) RAB9ASMN1; SMN2KDM4EPOLBNAMPT
SCHEMBL5788866 0.83 PKM (0.45) ROCK1KDM4ETMPRSS2GAAALDH1A1
SCHEMBL4637685 0.82 NR1H2 (0.39) SMN1; SMN2KDM4EPOLBHTR1AMEN1
SCHEMBL2124647 0.81 ESR1 (0.44) KDM4EPOLBHTR1ATSHRALDH1A1
SCHEMBL5556540 0.81 RAB9A (0.44) RAB9ACHEK1AURKADAPK3JAK2
SCHEMBL5170176 0.79 SLC18A2 (0.36) SMN1; SMN2KDM4EPOLBNAMPTHTR1A
SCHEMBL5170187 0.78 SLC18A2 (0.36) SMN1; SMN2KDM4EPOLBHTR1AMEN1
SCHEMBL5551732 0.78 MTNR1B (0.50) KDM4EPOLBHTR1ACYP2D6TSHR

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-1751163-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
WO-2005118549-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-15 WO disclosed