SCHEMBL8072860

SCHEMBL8072860

CC(=O)Oc1ccc(CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCN)C(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPOR P19235 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TACR1 P25103 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ELANE P08246 1/20 0.34
PTGS2 P35354 1/20 0.34
EPHX1 P07099 1/20 0.34
GAA P10253 1/20 0.33

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 SCHEMBL8074403 0.89 ALDH1A1 (0.43) EPORSMN1; SMN2KMT2AALDH1A1EPHX1
SCHEMBL8058896 0.86 NPY1R (0.40) TACR1
Hydrochloric Acid SCHEMBL8074658 0.85 MC4R (0.40) TACR1ALDH1A1
SCHEMBL8073016 0.82 CNR1 (0.41) TACR1
Hydrochloric Acid SCHEMBL8070263 0.82 MC4R (0.42) TACR1
Hydrochloric Acid SCHEMBL8069315 0.81 NPY1R (0.43) KMT2APOLB
SCHEMBL8127789 0.80 TDP1 (0.46) EPORNPC1RAB9ASMN1; SMN2KMT2A
Acetic Acid SCHEMBL8074521 0.78 CNR2 (0.33)
SCHEMBL8058871 0.77 ALDH1A1 (0.42) SMN1; SMN2KMT2APOLBALDH1A1EPHX1
SCHEMBL8650060 0.76 TDP1 (0.41) EPORKMT2AALDH1A1EPHX1

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