SCHEMBL7963210

SCHEMBL7963210

Cn1c(Cc2cnccn2)c(CN2CCCCC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.54
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 3/20 0.51
TSHR P16473 1/20 0.51
HRH1 P35367 3/20 0.44
CYP2D6 P10635 2/20 0.44
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CHRNA7 P36544 1/20 0.36
DCTPP1 Q9H773 1/20 0.36

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
SCHEMBL7948849 0.82 NPY1R (0.55) NPY1RALDH1A1HSD17B10TSHRLMNA
SCHEMBL7949099 0.82 NPY1R (0.60) NPY1RALDH1A1HSD17B10TSHRLMNA
SCHEMBL7948988 0.77 NPY1R (0.52) NPY1RALDH1A1HSD17B10TSHRLMNA
SCHEMBL7959897 0.77 NPY1R (0.54) NPY1RALDH1A1HSD17B10TSHRCYP2D6
SCHEMBL7959181 0.74 NPY1R (0.59) NPY1RALDH1A1HSD17B10TSHRLMNA
Hydrochloric Acid SCHEMBL7956994 0.73 NPY1R (0.81) NPY1RALDH1A1HSD17B10TSHR
SCHEMBL7963250 0.72 NPY1R (0.60) NPY1RALDH1A1HSD17B10TSHRCYP2D6
SCHEMBL7960784 0.72 NPY1R (0.54) NPY1RALDH1A1HSD17B10TSHRLMNA
SCHEMBL30222750 0.71 CHRNB2 (0.49) HRH1CYP2D6CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7960860 0.71 NPY1R (0.55) 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 4 patents. 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
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed