SCHEMBL9543247

SCHEMBL9543247

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOA P21397 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 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
SCHEMBL9544820 0.88 CCKBR (0.41) POLBMEN1LMNAKMT2ACDK4
SCHEMBL9543406 0.87 PTPN1 (0.38)
SCHEMBL9543221 0.86 DRD2 (0.35) POLBHTR1AHTR7
SCHEMBL9545071 0.86 DRD2 (0.37) LMNAHTR1AHTR7
SCHEMBL9542649 0.85 PREP (0.39)
SCHEMBL9544408 0.84 POLB (0.40) POLBALDH1A1MEN1LMNAKMT2A
SCHEMBL9544819 0.83 DRD4 (0.38)
SCHEMBL9543510 0.83 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9544446 0.82 HDAC8 (0.36)
SCHEMBL9543619 0.82 DRD2 (0.38) POLBLMNA

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed