SCHEMBL16387822

SCHEMBL16387822

B[C@@H]1CCCN1C(=S)[C@@H](NC(=O)CN(CCC)C(=O)[C@@H](N)C1CCCCC1)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.31
▸ DPP8 Q6V1X1 3/20 0.31
▸ DPP7 Q9UHL4 3/20 0.31
▸ DPP9 Q86TI2 2/20 0.31
▸ FAP Q12884 1/20 0.31

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
SCHEMBL15712058 0.88 DPP4 (0.47) DPP4DPP8DPP7DPP9FAP
SCHEMBL15712104 0.79 XIAP (0.33) DPP4DPP8DPP7DPP9FAP
SCHEMBL15334874 0.76 DPP4 (0.33) DPP4DPP8DPP7DPP9FAP
SCHEMBL15334875 0.69 DPP4 (0.35) DPP4DPP8DPP7DPP9FAP
SCHEMBL16789728 0.66 PSEN1 (0.32) —
SCHEMBL15712090 0.66 DPP4 (0.41) DPP4DPP8DPP7DPP9FAP
SCHEMBL15028069 0.64 DPP4 (0.48) DPP4DPP8DPP7DPP9FAP
SCHEMBL15334872 0.63 DPP4 (0.44) DPP4DPP8DPP7DPP9FAP
SCHEMBL24633817 0.62 ALDH1A1 (0.36) DPP4
SCHEMBL12344003 0.62 DPP4 (0.60) DPP4DPP8DPP7DPP9FAP

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
US-8933056-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-01-13 — — US disclosed
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