SCHEMBL11517312

SCHEMBL11517312

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.62
▸ FAP Q12884 3/20 0.62
▸ ACE P12821 10/20 0.58
▸ ACE2 Q9BYF1 4/20 0.52
▸ DPP8 Q6V1X1 1/20 0.49
▸ DPP9 Q86TI2 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL26616424 0.86 PREP (0.67) PREPFAPACEACE2DPP8
SCHEMBL26616429 0.86 PREP (0.67) PREPFAPACEACE2DPP8
SCHEMBL29749309 0.86 ACE (0.71) PREPFAPACEACE2
SCHEMBL3472327 0.86 ACE (0.71) PREPFAPACEACE2
SCHEMBL11435575 0.86 ACE (0.71) PREPFAPACEACE2
SCHEMBL11515816 0.82 PREP (0.66) PREPACEACE2
SCHEMBL10654808 0.82 ACE (0.66) PREPFAPACEACE2
SCHEMBL13950902 0.81 PREP (0.56) PREPFAPACEACE2
SCHEMBL13928274 0.81 PREP (0.56) PREPFAPACEACE2
SCHEMBL8610923 0.80 PREP (0.57) PREPFAPACEACE2DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4176116-A ELASTASE ENZYME INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1979-11-27 — — US claimed
US-4176116-A ELASTASE ENZYME INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1979-11-27 — — US disclosed
Send feedback