SCHEMBL7270667

SCHEMBL7270667

N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPK1 P28482 1/20 0.41
▸ DPP4 P27487 3/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL10864928 0.87 OPRM1 (0.43) DPP4DPP8DPP9OPRM1
Bromide SCHEMBL10345828 0.86 OPRM1 (0.42) DPP4DPP8DPP9OPRM1
SCHEMBL4595206 0.84 DPP4 (0.44) KDM4EDPP4DPP8DPP9
SCHEMBL1000429 0.84 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL2182026 0.84 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL1000430 0.84 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL5734357 0.84 DPP4 (0.44) KDM4EDPP4DPP8DPP9
SCHEMBL4595209 0.84 DPP4 (0.44) KDM4EDPP4DPP8DPP9
SCHEMBL29498244 0.84 DPP4 (0.40) DPP4DPP8DPP9OPRM1
Bromide SCHEMBL7325997 0.83 DPP4 (0.43) DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4636567-A CNS DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1987-01-13 — — US disclosed
US-4610821-A CENTRAL NERVOUS SYSTEM, THYROTROPIN RELEASING HORMONE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-09-09 — — US disclosed
US-4564609-A NERVOUS SYSTEM DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-01-14 — — US disclosed
EP-0123444-A1 4-Substituted-2-azetidinone compound, process of producing the compounds, and medicaments containing the compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-10-31 — — EP disclosed
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