SCHEMBL7948988

SCHEMBL7948988

Cn1c(Cc2ccc3ccccc3n2)c(CN2CCCCC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.52
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PDE10A Q9Y233 2/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DCTPP1 Q9H773 1/20 0.38
OPRL1 P41146 1/20 0.38
LMNA P02545 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
SCHEMBL7949099 0.80 NPY1R (0.60) NPY1RALDH1A1HSD17B10TSHRCRHBP
SCHEMBL7948849 0.78 NPY1R (0.55) NPY1RALDH1A1HSD17B10TSHRCRHBP
SCHEMBL7963210 0.77 NPY1R (0.54) NPY1RALDH1A1HSD17B10TSHRCRHBP
SCHEMBL27140396 0.76 FAAH (0.57) ALDH1A1HSD17B10CRHBPCRHR2KDM4E
SCHEMBL7959181 0.74 NPY1R (0.59) NPY1RALDH1A1HSD17B10TSHRCRHBP
SCHEMBL7956400 0.74 NPY1R (0.53) NPY1RALDH1A1HSD17B10TSHRCRHBP
SCHEMBL7963648 0.73 NPY1R (0.53) NPY1RALDH1A1HSD17B10TSHRCRHBP
SCHEMBL7959897 0.73 NPY1R (0.54) NPY1RALDH1A1HSD17B10TSHRCRHBP
SCHEMBL7963250 0.72 NPY1R (0.60) NPY1RALDH1A1HSD17B10TSHRCRHBP
Hydrochloric Acid SCHEMBL7959065 0.72 NPY1R (0.66) NPY1RALDH1A1HSD17B10TSHRCRHBP

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 5 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
CN-1173867-A Indolyl neuropeptide Y receptor antagonists LILLY CO ELI (US) 1998-02-18 CN 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