SCHEMBL15334875

SCHEMBL15334875

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 15/20 0.35
▸ DPP8 Q6V1X1 7/20 0.35
▸ DPP7 Q9UHL4 7/20 0.35
▸ DPP9 Q86TI2 6/20 0.35
▸ FAP Q12884 4/20 0.35
▸ KMT2A Q03164 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ EPHX1 P07099 1/20 0.30

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
SCHEMBL15028066 0.86 DPP4 (0.51) DPP4DPP8DPP7DPP9FAP
SCHEMBL15712090 0.81 DPP4 (0.41) DPP4DPP8DPP7DPP9FAP
SCHEMBL15334874 0.79 DPP4 (0.33) DPP4DPP8DPP7DPP9FAP
SCHEMBL13285559 0.78 DPP4 (0.59) DPP4DPP8DPP7DPP9FAP
SCHEMBL15386522 0.78 DPP4 (0.59) DPP4DPP8DPP7DPP9FAP
SCHEMBL13259718 0.78 DPP4 (0.59) DPP4DPP8DPP7DPP9FAP
SCHEMBL15712089 0.78 METAP2 (0.33) DPP4METAP2EPHX1
SCHEMBL15028132 0.74 DPP4 (0.38) DPP4DPP8DPP7DPP9FAP
SCHEMBL15334872 0.74 DPP4 (0.44) DPP4DPP8DPP7DPP9FAP
SCHEMBL13259713 0.73 DPP4 (0.40) 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-8563533-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-10-22 — — US disclosed
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