SCHEMBL7050535

SCHEMBL7050535

CC(O)C[C@@]1(C(=O)NCc2ccc(C(=N)N)cc2)C(c2ccccc2)CCN1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.44
MASP2 O00187 3/20 0.44
PROC P04070 4/20 0.43
TPSAB1 Q15661 1/20 0.42

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
SCHEMBL8727239 0.70 F2 (0.46) F2PROCTPSAB1
SCHEMBL8723792 0.69 TPSAB1 (0.46) F2PROCTPSAB1
SCHEMBL23479026 0.68 F2 (0.66) F2MASP2
SCHEMBL28953166 0.68 F2 (0.66) F2MASP2
SCHEMBL8727289 0.68 F2 (0.47) F2PROCTPSAB1
SCHEMBL23478619 0.66 F2 (0.65) F2MASP2
SCHEMBL28842104 0.66 F2 (0.65) F2MASP2
SCHEMBL23454624 0.64 F2 (0.68) F2MASP2
SCHEMBL23454620 0.64 F2 (0.68) F2MASP2
SCHEMBL23454677 0.64 MASP2 (0.75) F2MASP2

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-0773955-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AG (DE) 2003-04-16 EP disclosed
EP-0773955-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-05-21 EP disclosed
WO-1995035309-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-12-28 WO disclosed