SCHEMBL27363199

SCHEMBL27363199

CNC(=O)N(O)c1ccc2c(c1)CCCN2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.42
▸ OPRM1 P35372 13/20 0.40
▸ OPRK1 P41145 12/20 0.40
▸ OPRD1 P41143 12/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NR3C1 P04150 1/20 0.37
▸ NUDT1 P36639 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
SCHEMBL27539768 0.93 ACHE (0.40) ACHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL9029844 0.78 HDAC1 (0.48) ACHE
SCHEMBL27424435 0.76 TNF (0.47) ACHE
SCHEMBL9754203 0.76 HDAC1 (0.46) ACHE
SCHEMBL9206920 0.74 RXRA (0.48) MEN1KMT2AALDH1A1KDM4E
SCHEMBL27447114 0.73 HDAC1 (0.56) ACHE
SCHEMBL9207495 0.71 HDAC1 (0.50) ACHEKMT2AALDH1A1NR3C1
SCHEMBL17602223 0.71 DRD1 (0.48) ACHEOPRM1OPRK1OPRD1
SCHEMBL17067809 0.71 ALDH1A1 (0.53) ACHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL27363198 0.71 HDAC1 (0.57) ACHE

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
CN-1060286-A Antiinflammatory hydroxamic acids and N-hydroxyurea PFIZER (US) 1992-04-15 — — CN disclosed
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