SCHEMBL8058896

SCHEMBL8058896

NCCC[C@H](C(N)=O)N(CCc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 5/20 0.40
GLI1 P08151 2/20 0.40
GLI2 P10070 2/20 0.40
KDM4E B2RXH2 1/20 0.38
NPFFR1 Q9GZQ6 2/20 0.37
NPFFR2 Q9Y5X5 2/20 0.37
NPY5R Q15761 1/20 0.37
TACR1 P25103 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ESR1 P03372 1/20 0.35
CYP19A1 P11511 1/20 0.35
ESR2 Q92731 1/20 0.35

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 SCHEMBL8074658 0.90 MC4R (0.40) NPY1RTACR1HTR2AHRH1CA12
SCHEMBL8126608 0.89 TDP1 (0.41) NPY1RNPFFR1NPFFR2NPY5RHTR2A
SCHEMBL8073016 0.87 CNR1 (0.41) TACR1HTR2AHRH1CNR1
Hydrochloric Acid SCHEMBL8069315 0.86 NPY1R (0.43) NPY1RNPY5R
Hydrochloric Acid SCHEMBL8074403 0.86 ALDH1A1 (0.43) KDM4ECNR1CNR2
SCHEMBL1718512 0.86 NPY1R (0.42) NPY1RGLI1GLI2NPFFR1NPFFR2
SCHEMBL8072860 0.86 EPOR (0.37) TACR1
SCHEMBL8119409 0.85 EPOR (0.43) NPY1RNPFFR1NPFFR2NPY5RCNR1
Hydrochloric Acid SCHEMBL8070263 0.85 MC4R (0.42) TACR1CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL8120628 0.83 EPOR (0.41) NPY1RNPFFR1NPFFR2NPY5RCNR1

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