SCHEMBL6630745

SCHEMBL6630745

CNc1nc(NC2CCCCC2CNC(=O)OCc2ccccc2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.45
ALDH1A1 P00352 1/20 0.41
NPY5R Q15761 3/20 0.40
MERTK Q12866 3/20 0.40
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
APP P05067 2/20 0.40
TOP2A P11388 3/20 0.40
TOP2B Q02880 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL6618211 0.86 ADRA2A (0.44) ALDH1A1NPY5RACACBACACA
SCHEMBL3941128 0.85 NPY5R (0.56) NPY5RBCHEACHEAPPACACB
SCHEMBL3941125 0.85 NPY5R (0.56) NPY5RBCHEACHEAPPACACB
SCHEMBL6615961 0.78 MCHR1 (0.45) ALDH1A1NPY5RMEN1KMT2A
SCHEMBL6930461 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL14266658 0.76 MERTK (0.52) ALDH1A1NPY5RMERTKBCHEACHE
SCHEMBL14599452 0.74 NPY5R (0.52) ALDH1A1NPY5RBCHEACHEAPP
SCHEMBL6615107 0.74 SYK (0.47) CFDNPY5RMERTKMEN1KMT2A
SCHEMBL6603635 0.73 ACACB (0.53) NPY5RACACBACACA
SCHEMBL4358020 0.72 ALDH1A1 (0.50) ALDH1A1MEN1KMT2A

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-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed