SCHEMBL5773830

SCHEMBL5773830

Cc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2[n+]1[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.61
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.44
PRKCI P41743 2/20 0.43
CNR2 P34972 4/20 0.41
CNR1 P21554 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR1A P08908 2/20 0.39
HTR2C P28335 2/20 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
SCHEMBL5775005 0.89 NPY5R (0.47) NPY5RKDM4EALDH1A1MAPK1PRKCI
Hydrochloric Acid SCHEMBL5774152 0.87 NPY5R (0.46) NPY5RKDM4EALDH1A1MAPK1PRKCI
SCHEMBL5771955 0.77 MEN1 (0.51) NPY5RKDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5776500 0.76 MEN1 (0.50) NPY5RKDM4EALDH1A1MEN1KMT2A
SCHEMBL5773316 0.76 NPY5R (1.00) NPY5RKDM4EALDH1A1MAPK1PRKCI
Hydrochloric Acid SCHEMBL5774363 0.75 NPY5R (0.97) NPY5RKDM4EALDH1A1MAPK1PRKCI
SCHEMBL5778378 0.74 NPY5R (0.62) NPY5R
SCHEMBL5772205 0.68 NPY5R (0.69) NPY5RKDM4EALDH1A1MAPK1GAA
Hydrochloric Acid SCHEMBL5774401 0.67 NPY5R (0.67) NPY5RKDM4EALDH1A1MAPK1GAA
SCHEMBL5772334 0.64 NPY5R (0.78) NPY5RPRKCIMEN1KMT2ASMN1; 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