SCHEMBL8058943

SCHEMBL8058943

COc1ccc(CCN[C@H](CCCN)C(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HAT1 O14929 2/20 0.46
▸ EP300 Q09472 2/20 0.46
▸ BLM P54132 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ PLAAT3 P53816 1/20 0.43
▸ PLAAT5 Q96KN8 1/20 0.43
▸ PLAAT2 Q9NWW9 1/20 0.43
▸ PLAAT4 Q9UL19 1/20 0.43

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
SCHEMBL4651833 0.88 CNR1 (0.47) CNR1CNR2KMT2AMEN1KDM4E
SCHEMBL4651777 0.79 CNR1 (0.48) CNR1CNR2ALDH1A1NPSR1
SCHEMBL4651007 0.78 HAT1 (0.45) CNR1CNR2KMT2ATDP1HAT1
SCHEMBL8127785 0.77 NPY1R (0.59) ALDH1A1
SCHEMBL8654768 0.77 NPY1R (0.59) ALDH1A1
Hydrochloric Acid SCHEMBL9204380 0.77 CNR1 (0.46) CNR1CNR2KMT2AMEN1TDP1
SCHEMBL8653899 0.76 NPY1R (0.52) —
SCHEMBL9201265 0.76 CTSD (0.45) CNR1CNR2KMT2AMEN1KDM4E
SCHEMBL9201253 0.76 CTSD (0.45) CNR1CNR2KMT2AMEN1KDM4E
SCHEMBL9202012 0.75 TLR2 (0.47) CNR1CNR2KMT2AMEN1

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
Send feedback