SCHEMBL7963250

SCHEMBL7963250

COCCc1c(CN2CCCCC2)c2ccccc2n1C

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 3/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 5/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HPGD P15428 1/20 0.40
CHRNA7 P36544 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CNR2 P34972 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7959181 0.84 NPY1R (0.59) NPY1RALDH1A1HSD17B10TSHRKDM4E
Hydrochloric Acid SCHEMBL7959359 0.83 NPY1R (0.53) NPY1RALDH1A1HSD17B10TSHRKDM4E
Hydrochloric Acid SCHEMBL7958663 0.78 NPY1R (0.67) NPY1RALDH1A1HSD17B10TSHRKDM4E
Hydrochloric Acid SCHEMBL7956994 0.78 NPY1R (0.81) NPY1RALDH1A1HSD17B10TSHR
Hydrochloric Acid SCHEMBL7960635 0.77 NPY1R (0.67) NPY1RALDH1A1HSD17B10TSHRHTT
Hydrochloric Acid SCHEMBL7963120 0.77 NPY1R (0.80) NPY1RALDH1A1HSD17B10TSHRKDM4E
SCHEMBL7949099 0.77 NPY1R (0.60) NPY1RALDH1A1HSD17B10TSHRKDM4E
Hydrochloric Acid SCHEMBL7957069 0.77 NPY1R (0.62) NPY1RALDH1A1HSD17B10TSHRKDM4E
SCHEMBL7949185 0.76 NPY1R (0.53) NPY1RALDH1A1HSD17B10TSHRCHRNA7
Hydrochloric Acid SCHEMBL7960860 0.75 NPY1R (0.55) NPY1RALDH1A1HSD17B10TSHRKDM4E

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 3 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 claimed
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
CN-1173867-A Indolyl neuropeptide Y receptor antagonists LILLY CO ELI (US) 1998-02-18 CN disclosed