SCHEMBL7956731

SCHEMBL7956731

CN(C)Cc1c(COc2ccc(Cl)cc2)n(C)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.65
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR5A P47898 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRNA7 P36544 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
Hydrochloric Acid SCHEMBL7959211 0.87 NPY1R (0.61) NPY1RTSHRKDM4EALOX15TDP1
Hydrochloric Acid SCHEMBL7949110 0.86 NPY1R (0.58) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7963340 0.85 NPY1R (0.57) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7948979 0.85 NPY1R (0.67) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7963645 0.82 NPY1R (0.70) NPY1RTSHRKDM4EALOX15TDP1
Hydrochloric Acid SCHEMBL7960173 0.81 NPY1R (0.59) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7960741 0.81 NPY1R (0.58) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7959489 0.79 NPY1R (0.60) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7963425 0.79 NPY1R (1.00) NPY1RTSHRHTR5AALDH1A1HSD17B10
SCHEMBL7960734 0.79 NPY1R (0.65) NPY1RTSHRKDM4EALOX15TDP1

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