SCHEMBL5772205

SCHEMBL5772205

FC(F)(F)c1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.69
TLR7 Q9NYK1 2/20 0.57
PRKCI P41743 4/20 0.53
KCNH2 Q12809 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIKFYVE Q9Y2I7 1/20 0.41
RAD52 P43351 1/20 0.41

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 SCHEMBL5774401 0.99 NPY5R (0.67) NPY5RTLR7PRKCIKCNH2NPC1
SCHEMBL5773316 0.81 NPY5R (1.00) NPY5RPRKCINPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL5774363 0.81 NPY5R (0.97) NPY5RPRKCINPC1RAB9AKDM4E
SCHEMBL5773650 0.76 NPC1 (0.42) NPY5RTLR7PRKCIKCNH2NPC1
SCHEMBL5770930 0.74 NPY5R (1.00) NPY5R
Hydrochloric Acid SCHEMBL5772560 0.72 NPY5R (0.95) NPY5R
Hydrochloric Acid SCHEMBL5773169 0.71 NPY5R (0.74) NPY5RPRKCIKCNH2SMN1; SMN2
SCHEMBL5771155 0.70 NPY5R (0.78) NPY5RPRKCIKDM4EALDH1A1SMN1; SMN2
SCHEMBL14034104 0.70 NPY5R (0.57) NPY5RPRKCIKDM4EMAPK1ALDH1A1
SCHEMBL14986505 0.70 PRKCI (1.00) NPY5RPRKCI

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