SCHEMBL5776579

SCHEMBL5776579

Cc1nc(N2CC=CCC2)c2sc(-c3ccccc3)cc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.72
PRKCI P41743 2/20 0.49
KDM4E B2RXH2 5/20 0.46
CNR2 P34972 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CNR1 P21554 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 1/20 0.44
CYP2D6 P10635 1/20 0.44
PIKFYVE Q9Y2I7 1/20 0.43

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
Hydrochloric Acid SCHEMBL5771345 0.98 NPY5R (0.69) NPY5RPRKCIKDM4ECNR2ALDH1A1
SCHEMBL5773316 0.84 NPY5R (1.00) NPY5RPRKCIKDM4ECNR2ALDH1A1
Hydrochloric Acid SCHEMBL5774363 0.83 NPY5R (0.97) NPY5RPRKCIKDM4ECNR2ALDH1A1
SCHEMBL5774210 0.79 NPY5R (0.69) NPY5RPRKCIKDM4ECNR2ALDH1A1
Hydrochloric Acid SCHEMBL5772326 0.77 NPY5R (0.67) NPY5RPRKCIKDM4ECNR2ALDH1A1
SCHEMBL5775402 0.74 NPY5R (1.00) NPY5R
SCHEMBL22727925 0.73 NPY5R (0.65) NPY5RPRKCIKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL5773903 0.73 NPY5R (0.98) NPY5R
SCHEMBL5772334 0.72 NPY5R (0.78) NPY5RPRKCISMN1; SMN2MEN1KMT2A
SCHEMBL5771155 0.72 NPY5R (0.78) NPY5RPRKCIKDM4EALDH1A1SMN1; SMN2

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 claimed