SCHEMBL5775005

SCHEMBL5775005

Cc1nc(N2CCCCC2)c2sc(-c3ccc(Cl)cc3)cc2[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
MCHR1 Q99705 7/20 0.40
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HSD17B10 Q99714 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK1 O14757 1/20 0.36
CNR1 P21554 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
Hydrochloric Acid SCHEMBL5774152 0.98 NPY5R (0.46) NPY5RMCHR1KDM4EMAPTHPGD
SCHEMBL5773830 0.89 NPY5R (0.61) NPY5RKDM4EHPGDALDH1A1HSD17B10
SCHEMBL5771155 0.77 NPY5R (0.78) NPY5RMCHR1KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL5773817 0.76 NPY5R (0.76) NPY5RMCHR1KDM4EMAPTHPGD
SCHEMBL5771955 0.75 MEN1 (0.51) NPY5RKDM4EMAPTNPSR1NPC1
Hydrochloric Acid SCHEMBL5776500 0.74 MEN1 (0.50) NPY5RKDM4EMAPTALDH1A1NPSR1
SCHEMBL5772334 0.65 NPY5R (0.78) NPY5RSMN1; SMN2PRKCI
SCHEMBL5773316 0.65 NPY5R (1.00) NPY5RKDM4EHPGDALDH1A1HSD17B10
SCHEMBL5778378 0.64 NPY5R (0.62) NPY5R
Hydrochloric Acid SCHEMBL5773169 0.64 NPY5R (0.74) NPY5RSMN1; SMN2PRKCI

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