SCHEMBL8073016

SCHEMBL8073016

NCCC[C@H](C(N)=O)N(CCCc1ccccc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
TACR1 P25103 1/20 0.41
AGTR2 P50052 3/20 0.40
MAOA P21397 1/20 0.39
ACE P12821 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
GRIK1 P39086 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
SCHEMBL8058896 0.87 NPY1R (0.40) CNR1TACR1HTR2AHRH1
SCHEMBL8650060 0.86 TDP1 (0.41) HTR2AHRH1
Hydrochloric Acid SCHEMBL8074658 0.86 MC4R (0.40) TACR1HTR2AHRH1
SCHEMBL8069355 0.85 CNR1 (0.47) CNR1
Hydrochloric Acid SCHEMBL8069315 0.83 NPY1R (0.43)
Hydrochloric Acid SCHEMBL8074403 0.83 ALDH1A1 (0.43) CNR1
SCHEMBL8072860 0.82 EPOR (0.37) TACR1
Hydrochloric Acid SCHEMBL8070263 0.82 MC4R (0.42) TACR1
SCHEMBL8072950 0.81 FOLH1 (0.46) CNR1
SCHEMBL8126608 0.80 TDP1 (0.41) CNR1HTR2AHRH1

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
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed