SCHEMBL1775755

SCHEMBL1775755

O=C(O)N1C[C@@H](OC(Cc2ccccc2)c2ccccc2)[C@H](O)[C@H]1COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.43
ABHD6 Q9BV23 5/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
DAGLA Q9Y4D2 2/20 0.34
PTGER2 P43116 1/20 0.34

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
SCHEMBL2914271 0.82 BCHE (0.43) AGTR2ABHD6DAGLA
SCHEMBL1775754 0.72 KLK7 (0.44) AGTR2
SCHEMBL1776891 0.72 KLK7 (0.44) AGTR2
SCHEMBL18587328 0.69 AGTR2 (0.47) AGTR2ABHD6DAGLA
SCHEMBL6975692 0.68 AGTR2 (0.46) AGTR2ABHD6OPRM1OPRD1OPRK1
SCHEMBL22555190 0.68 AGTR2 (0.46) AGTR2ABHD6OPRM1OPRD1OPRK1
SCHEMBL4297034 0.68 AGTR2 (0.46) AGTR2ABHD6OPRM1OPRD1OPRK1
SCHEMBL18588189 0.67 AGTR2 (0.46) AGTR2ABHD6DAGLA
SCHEMBL20484804 0.67 AGTR2 (0.46) AGTR2ABHD6DAGLA
SCHEMBL5465300 0.66 AGTR2 (0.40) AGTR2ABHD6DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943584-B2 Medicinal composition containing diabetes remedy SANKYO COMPANY, LIMITED (JP) 2011-05-17 US disclosed