SCHEMBL6028367

SCHEMBL6028367

CCOC(C(=O)NCc1ccc(C(=N)N)cc1)N1C=C2C=CC(=O)C(C)=C2C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.39
F2 P00734 16/20 0.38
F10 P00742 4/20 0.38
PRSS1 P07477 2/20 0.38
F7 P08709 2/20 0.38
MASP2 O00187 1/20 0.37
KLKB1 P03952 3/20 0.35

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
SCHEMBL6028321 0.90 ST14 (0.39) ST14F2F10PRSS1F7
Acetic Acid SCHEMBL6027976 0.82 F10 (0.43) F2F10PRSS1F7
SCHEMBL6028386 0.81 F10 (0.35) F2F10PRSS1F7KLKB1
SCHEMBL6028739 0.79 ST14 (0.38) ST14F2F10PRSS1F7
Acetic Acid SCHEMBL6028736 0.77 F2 (0.39) ST14F2F10PRSS1F7
SCHEMBL6029054 0.77 F10 (0.35) F10
Acetic Acid SCHEMBL6028580 0.75 F10 (0.34) F10
SCHEMBL6029267 0.74 ST14 (0.38) ST14F2F10PRSS1F7
SCHEMBL6028373 0.73 F10 (0.36) F2F10PRSS1F7KLKB1
SCHEMBL6031646 0.73 ST14 (0.39) ST14F2F10PRSS1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706149-A2 LIPOSOME COMPOSITION FOR DELIVERY OF THERAPEUTIC AGENTS ALZA CORPORATION (US) 2006-10-04 EP disclosed
WO-2005070466-A2 LIPOSOME COMPOSITION FOR DELIVERY OF THERAPEUTIC AGENTS ALZA CORPORATION (US) 2005-08-04 WO disclosed
WO-2005066137-A1 2,5-DIARYL-1H-IMIDAZOLE-4-CARBOXAMIDES AS NEUROKININ-3 RECEPTOR MODULATORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES NEUROGEN CORPORATION (US) 2005-07-21 WO disclosed