SCHEMBL8893955

SCHEMBL8893955

COCC(=O)C(N)c1ccc(Nc2nc(Nc3ccc(Cl)cc3)c3cccc(OC)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.40
CCNT1 O60563 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
STK17A Q9UEE5 1/20 0.38
ALK Q9UM73 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AGPAT2 O15120 2/20 0.36
SYK P43405 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL8889835 0.93 NPY5R (0.43) NPY5RCCNT1CCNE1CDK2CDK9
SCHEMBL8893944 0.82 KMT2A (0.46) NPY5RCCNT1CCNE1CDK2CDK9
SCHEMBL8900353 0.81 NPY5R (0.49) NPY5RMEN1ALDH1A1POLBKMT2A
Hydrochloric Acid SCHEMBL8905468 0.81 KMT2A (0.45) NPY5RCCNT1CCNE1CDK2CDK9
SCHEMBL8898845 0.80 NPY5R (0.41) NPY5RALKMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL8905477 0.79 NPY5R (0.40) NPY5RALKMEN1ALDH1A1POLB
SCHEMBL8891133 0.78 NPY5R (0.46) NPY5RSTK17AALKCTNNB1TCF7L2
SCHEMBL8890323 0.76 NPY5R (0.45) NPY5RSTK17ASYKEGFRKDR
Hydrochloric Acid SCHEMBL8890553 0.76 NPY5R (0.44) NPY5RSTK17ASYKEGFR
SCHEMBL8889844 0.74 NPY5R (0.48) NPY5RCCNT1CCNE1CDK2CDK9

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
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO claimed