SCHEMBL27445687

SCHEMBL27445687

CC(C)CN(CC(O)C(=O)O)C(=O)N[C@@H](C)c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 11/20 0.63
▸ ACE P12821 11/20 0.63
▸ MMP9 P14780 1/20 0.44
▸ ACACB O00763 3/20 0.43
▸ ACACA Q13085 2/20 0.43
▸ UTS2R Q9UKP6 2/20 0.42

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
SCHEMBL8030967 0.91 MME (0.62) MMEACEUTS2R
SCHEMBL8454383 0.91 MME (0.62) MMEACEUTS2R
SCHEMBL27446256 0.90 MME (0.71) MMEACEACACBACACA
SCHEMBL27442625 0.86 MME (0.57) MMEACEUTS2R
SCHEMBL27442623 0.86 MME (0.57) MMEACEUTS2R
SCHEMBL8027344 0.85 MME (0.85) MMEACE
SCHEMBL8017403 0.84 MME (0.57) MMEACEACACBACACA
SCHEMBL8521824 0.84 MME (0.57) MMEACEACACBACACA
SCHEMBL8027474 0.82 MME (0.74) MMEACE
SCHEMBL8453353 0.82 MME (0.74) MMEACE

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-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 — — CN disclosed
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