SCHEMBL9523924

SCHEMBL9523924

NCCCC[C@@H]([C]=O)NC(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ SLC15A2 Q16348 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ GHSR Q92847 1/20 0.31
▸ GSR P00390 1/20 0.31
▸ CPB2 Q96IY4 2/20 0.30
▸ CPB1 P15086 1/20 0.30
▸ LTA4H P09960 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
SCHEMBL11209585 1.00 MMP2 (0.33) MMP2CTSCSLC15A2DPP8DPP9
SCHEMBL9488301 0.91 MMP2 (0.37) MMP2CTSCSLC15A2DPP8DPP9
SCHEMBL2181915 0.89 GHSR (0.44) MMP2CTSCGHSR
SCHEMBL9012647 0.87 CTSC (0.37) CTSC
SCHEMBL9012638 0.87 CTSC (0.37) CTSC
SCHEMBL9012459 0.87 CTSC (0.37) CTSC
SCHEMBL9012442 0.87 CTSC (0.37) CTSC
SCHEMBL6379003 0.85 SLC15A2 (0.47) SLC15A2GHSR
SCHEMBL2196158 0.84 CTSC (0.36) CTSC
SCHEMBL16468661 0.83 CTSC (0.35) CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190736-B1 Chemical derivatives of GHL-Cu PROCYTE CORP (US) 1993-12-15 — — EP disclosed
EP-0010297-B1 DERIVATIVES OF POLYENE MACROLIDE ANTIBIOTICS CONTAINING AN AMINO SUGAR MOIETY, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1983-04-13 — — EP disclosed
US-4272525-A FUNGICIDES SCHERING CORPORATION (US) 1981-06-09 — — US disclosed
EP-0010297-A1 Derivatives of polyene macrolide antibiotics containing an amino sugar moiety, process for the preparation thereof, and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1980-04-30 — — EP disclosed
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