SCHEMBL7148085

SCHEMBL7148085

C[C@H](N)C(=O)NC(=O)[C@@H]1CC(C2CCCCC2)CN1Cc1ccc(C(N)=NCC(=O)O)cc1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.33
F2 P00734 4/20 0.32
DPP4 P27487 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FAP Q12884 2/20 0.30
DPP8 Q6V1X1 2/20 0.30
DPP9 Q86TI2 2/20 0.30
DPP7 Q9UHL4 2/20 0.30
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
Hydrochloric Acid SCHEMBL7146333 0.99 CTSD (0.32) CTSDF2DPP4MEN1KMT2A
SCHEMBL7139402 0.87 PTGER4 (0.36) F2MEN1KMT2A
SCHEMBL7356317 0.84 F2 (0.37) F2MEN1KMT2A
Hydrochloric Acid SCHEMBL7165069 0.83 F2 (0.37) F2MEN1KMT2A
SCHEMBL7148757 0.81 CYP3A4 (0.32) MEN1KMT2A
Hydrochloric Acid SCHEMBL7144856 0.81 CYP3A4 (0.32)
SCHEMBL7249203 0.81 MC3R (0.33) F2MEN1KMT2A
SCHEMBL7143011 0.80 F2 (0.35) F2MEN1KMT2A
Hydrochloric Acid SCHEMBL7160547 0.80 MC3R (0.33) F2MEN1KMT2A
Hydrochloric Acid SCHEMBL7364149 0.80 F2 (0.34) F2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1515550-A Thrombosis resisting preparation 2004-07-28 CN claimed
EP-1361212-A1 Peptide derivatives as antithrombotic agents AstraZeneca AB (SE) 2003-11-12 EP claimed
CN-1147205-A antithrombotic agent LILLY CO ELI (US) 1997-04-09 CN claimed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP claimed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO claimed