SCHEMBL7445891

SCHEMBL7445891

CCS(=O)(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C1CCCCC1)[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.32
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL7409707 0.99 DPP4 (0.32) DPP4NPSR1
SCHEMBL9223278 0.89 DPP4 (0.33) DPP4NPSR1
Hydrochloric Acid SCHEMBL9224005 0.88 SPHK1 (0.33) DPP4NPSR1
SCHEMBL7444970 0.86 F2 (0.32) NPSR1
Hydrochloric Acid SCHEMBL7415745 0.86 F2 (0.31) NPSR1
SCHEMBL9226789 0.84 HDAC8 (0.32) DPP4
SCHEMBL9240904 0.83 F2 (0.33) DPP4NPSR1
SCHEMBL7444009 0.83 DPP4 (0.42) DPP4
Sulfuric Acid SCHEMBL6373694 0.82 BIRC2 (0.31)
Hydrochloric Acid SCHEMBL7415872 0.82 DPP4 (0.41) DPP4

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-0748333-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-10 EP claimed
US-5602101-A THROMBIN INHIBITORS, ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1997-02-11 US claimed
EP-0748333-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1996-12-18 EP claimed
WO-1995023809-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO claimed