SCHEMBL11320955

SCHEMBL11320955

O=C(O)CCCN(C(=O)CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.44
▸ GCGR P47871 2/20 0.43
▸ GLP1R P43220 1/20 0.42
▸ AGER Q15109 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ TMEM97 Q5BJF2 3/20 0.39
▸ SIGMAR1 Q99720 3/20 0.39
▸ LIMK2 P53671 2/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ LPAR1 Q92633 1/20 0.38
▸ LPAR5 Q9H1C0 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL11314879 0.96 OPRD1 (0.43) OPRD1GCGRGLP1RAGERHDAC1
SCHEMBL11224743 0.87 POLB (0.40) OPRD1GCGRHDAC1HDAC6FOLH1
SCHEMBL11320468 0.86 AGER (0.50) AGERHDAC1HDAC6TMEM97SIGMAR1
SCHEMBL11314305 0.85 HPGD (0.45) OPRD1HDAC1HDAC6OPRM1
SCHEMBL11320266 0.84 POLB (0.45) OPRD1GCGROPRM1
SCHEMBL11318737 0.83 TMEM97 (0.42) OPRD1GCGRGLP1RAGERHDAC1
SCHEMBL11224728 0.83 TMEM97 (0.49) AGERHDAC1HDAC6TMEM97SIGMAR1
SCHEMBL11324734 0.81 PDE6D (0.45) GCGRGLP1RHDAC1TMEM97SIGMAR1
SCHEMBL11317558 0.77 GAA (0.44) OPRD1HDAC1HDAC6OPRM1
SCHEMBL11322309 0.77 PTGIR (0.48) —

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-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 — — US disclosed
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