SCHEMBL7594445

SCHEMBL7594445

COc1ccc([C@H](CO)N(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BMP1 P13497 1/20 0.39
EPHX1 P07099 1/20 0.38
CASR P41180 2/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
ATM Q13315 1/20 0.37
GPR88 Q9GZN0 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KLK7 P49862 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 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
SCHEMBL7595122 1.00 CNR1 (0.44) CNR1CNR2ALDH1A1NPSR1BMP1
SCHEMBL7595148 0.92 CNR1 (0.36) CNR1CNR2OPRM1OPRD1
SCHEMBL7597597 0.92 CNR1 (0.36) CNR1CNR2OPRM1OPRD1
SCHEMBL7596641 0.90 CNR1 (0.47) CNR1CNR2ALDH1A1NPSR1BMP1
SCHEMBL7595822 0.90 CNR1 (0.47) CNR1CNR2ALDH1A1NPSR1BMP1
SCHEMBL7600358 0.87 FOLH1 (0.43) CNR1CNR2OPRM1OPRD1ATM
SCHEMBL7595801 0.87 FOLH1 (0.43) CNR1CNR2OPRM1OPRD1ATM
Hydrochloric Acid SCHEMBL7596742 0.86 ALDH1A1 (0.41) CNR1CNR2ALDH1A1NPSR1EPHX1
Hydrochloric Acid SCHEMBL7595022 0.86 ALDH1A1 (0.41) CNR1CNR2ALDH1A1NPSR1EPHX1
SCHEMBL7595770 0.86 CNR1 (0.43) CNR1CNR2ALDH1A1NPSR1BMP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP claimed
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP claimed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO claimed
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
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