SCHEMBL7271617

SCHEMBL7271617

CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ FKBP1A P62942 6/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PRCP P42785 1/20 0.39
▸ DPP4 P27487 2/20 0.38
▸ FKBP5 Q13451 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ POLB P06746 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
SCHEMBL7270598 0.86 STAT3 (0.39) OPRM1DPP4DPP8DPP9
SCHEMBL10864928 0.86 OPRM1 (0.43) OPRM1DPP4DPP8DPP9
SCHEMBL7270539 0.86 MEN1 (0.40) L3MBTL1ALDH1A1TSHR
SCHEMBL29498244 0.85 DPP4 (0.40) OPRM1DPP4DPP8DPP9
Bromide SCHEMBL10345828 0.85 OPRM1 (0.42) OPRM1DPP4DPP8DPP9
SCHEMBL10420021 0.84 OPRM1 (0.41) OPRM1DPP4DPP8DPP9
SCHEMBL17274192 0.83 ACE (0.42) OPRM1
SCHEMBL29498239 0.82 DPP4 (0.38) OPRM1DPP4DPP8DPP9
SCHEMBL29566393 0.82 OPRM1 (0.44) OPRM1
SCHEMBL29649761 0.82 OPRM1 (0.44) OPRM1

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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