SCHEMBL7948979

SCHEMBL7948979

Cn1c(COc2ccc(Cl)cc2)c(CN)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 8/20 0.67
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 2/20 0.43
HTR5A P47898 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
CXCL8 P10145 1/20 0.39
NOD1 Q9Y239 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
SCHEMBL7963645 0.90 NPY1R (0.70) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7956731 0.85 NPY1R (0.65) NPY1RTSHRKDM4EALOX15TDP1
Hydrochloric Acid SCHEMBL7959211 0.82 NPY1R (0.61) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7959489 0.81 NPY1R (0.60) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7960734 0.81 NPY1R (0.65) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7963425 0.81 NPY1R (1.00) NPY1RTSHRHTR5AALDH1A1
SCHEMBL7960625 0.81 NPY1R (0.83) NPY1RTSHRKDM4EALOX15TDP1
Hydrochloric Acid SCHEMBL7958491 0.81 NPY1R (0.96) NPY1RTSHRHTR5AALDH1A1
Hydrochloric Acid SCHEMBL7956743 0.80 NPY1R (0.59) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7959923 0.80 NPY1R (1.00) NPY1RHTR5A

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