SCHEMBL7948640

SCHEMBL7948640

CC(C(=O)c1c(COc2ccc(Cl)cc2)n(C)c2ccccc12)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 17/20 0.54
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7959646 0.83 NPY1R (0.60) NPY1RTP53
SCHEMBL7960716 0.83 NPY1R (0.60) NPY1R
SCHEMBL7948644 0.81 NPY1R (0.60) NPY1R
SCHEMBL7958925 0.78 NPY1R (0.71) NPY1RKMT2AKDM4EALOX15TSHR
SCHEMBL7958718 0.78 NPY1R (0.62) NPY1RMEN1NPC1GAAMAPT
SCHEMBL7959355 0.76 NPY1R (0.59) NPY1R
SCHEMBL7949133 0.76 NPY1R (0.65) NPY1RMEN1NPC1GAAMAPT
SCHEMBL7958788 0.76 NPY1R (0.62) NPY1RMEN1NPC1GAAMAPT
SCHEMBL7958833 0.75 NPY1R (0.61) NPY1RKMT2A
SCHEMBL7958879 0.75 NPY1R (0.61) NPY1RMEN1NPC1GAAMAPT

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 2 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