SCHEMBL7949099

SCHEMBL7949099

Cn1c(Cc2ncccn2)c(CN2CCCCC2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.60
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 4/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 2/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BRD4 O60885 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL7959897 0.82 NPY1R (0.54) NPY1RALDH1A1HSD17B10TSHRLMNA
SCHEMBL7963210 0.82 NPY1R (0.54) NPY1RALDH1A1HSD17B10TSHRLMNA
SCHEMBL7948988 0.80 NPY1R (0.52) NPY1RALDH1A1HSD17B10TSHRLMNA
SCHEMBL7959181 0.79 NPY1R (0.59) NPY1RALDH1A1HSD17B10TSHRLMNA
Hydrochloric Acid SCHEMBL7956994 0.78 NPY1R (0.81) NPY1RALDH1A1HSD17B10TSHRHRH3
SCHEMBL7963250 0.77 NPY1R (0.60) NPY1RALDH1A1HSD17B10TSHRLMNA
SCHEMBL7948849 0.76 NPY1R (0.55) NPY1RALDH1A1HSD17B10TSHRLMNA
Hydrochloric Acid SCHEMBL7960860 0.75 NPY1R (0.55) NPY1RALDH1A1HSD17B10TSHRLMNA
SCHEMBL27479065 0.75 NPY1R (0.52) NPY1RALDH1A1HSD17B10TSHRLMNA
SCHEMBL27479063 0.75 NPY1R (0.52) NPY1RALDH1A1HSD17B10TSHRLMNA

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
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed