SCHEMBL8021737

SCHEMBL8021737

CCCSCCC(N)C([NH])=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BHMT Q93088 11/20 0.46
▸ BHMT2 Q9H2M3 1/20 0.46
▸ NOS2 P35228 2/20 0.42
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.35
▸ GRIK1 P39086 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ GRIK2 Q13002 1/20 0.33

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
SCHEMBL8024758 0.86 BHMT (0.43) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL24154514 0.82 NOS2 (0.47) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL8024937 0.82 ARG1 (0.40) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL474911 0.82 BHMT (0.67) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL2119412 0.82 BHMT (0.67) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL474910 0.82 BHMT (0.67) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL19538739 0.80 BHMT (0.46) BHMTBHMT2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL28941785 0.80 BHMT (0.65) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1262429 0.78 — —
SCHEMBL9579082 0.78 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 — — EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 — — US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 — — EP disclosed
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