SCHEMBL5776385

SCHEMBL5776385

Cc1nc(Cl)c2[nH]c(-c3ccccc3)cc2[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.42
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
GMNN O75496 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
SCHEMBL5778378 0.76 NPY5R (0.62) NPY5R
SCHEMBL5772401 0.72 NPY5R (0.70) NPY5R
SCHEMBL5776765 0.67 NPY5R (0.51) NPY5RMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5771479 0.66 NPY5R (0.57) NPY5RLMNAMEN1KMT2ACCNB2
SCHEMBL5775164 0.65 NPY5R (0.58) NPY5RCCNB2CDK1CCNB1CDK5
SCHEMBL5773128 0.65 NPY5R (0.60) NPY5RCCNB2CDK1CCNB1CDK5
SCHEMBL5774044 0.65 NPY5R (0.60) NPY5RCCNB2CDK1CCNB1CDK5
SCHEMBL7650453 0.64 DHODH (0.55) NPY5RKDM4ELMNAMEN1NPC1
SCHEMBL5773508 0.63 NPY5R (0.62) NPY5R
SCHEMBL3985467 0.63 ALDH1A1 (0.57) NPY5RKDM4ELMNAMEN1NPC1

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-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed