SCHEMBL28023714

SCHEMBL28023714

COc1cc(CN(NCC(O)C(=O)O)C(=O)c2nnn[nH]2)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.39
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ ROCK2 O75116 7/20 0.36
▸ ROCK1 Q13464 7/20 0.36
▸ CTSA P10619 1/20 0.35

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
SCHEMBL28821056 0.80 MME (0.41) MMEADRB1ADRB3ROCK2ROCK1
SCHEMBL16458366 0.79 MME (0.48) MMEADRB1ADRB3
SCHEMBL28024292 0.73 TDP1 (0.37) MME
SCHEMBL9934801 0.71 MME (0.43) MME
SCHEMBL9934788 0.71 MME (0.43) MME
SCHEMBL27932200 0.69 MME (0.37) MME
SCHEMBL28023728 0.68 MME (0.39) MME
SCHEMBL27913955 0.67 MME (0.39) MME
SCHEMBL27913953 0.66 MME (0.58) MME
SCHEMBL16458036 0.66 MME (0.51) MME

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-103261168-B Enkephalinase inhibitor THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-05 — — CN disclosed
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