SCHEMBL7818508

SCHEMBL7818508

CC(=O)NCc1cc(-n2c(C)cnc(NC(C)Cc3cccnc3)c2=O)c(N)nc1C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 14/20 0.52
▸ PRSS1 P07477 10/20 0.52
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ PIK3CD O00329 2/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ MASP2 O00187 1/20 0.35
▸ TP53 P04637 1/20 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
SCHEMBL8418959 0.92 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817431 0.92 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7819433 0.86 F2 (0.62) F2PRSS1PRSS2PRSS3PIK3CD
SCHEMBL7817408 0.84 F2 (0.43) F2PRSS1PRSS2PRSS3
SCHEMBL7817428 0.83 F2 (0.52) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7825524 0.78 F2 (0.60) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817575 0.78 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL8420322 0.78 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7404488 0.78 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817688 0.77 F2 (0.43) F2PRSS1PRSS2PRSS3MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 — — EP disclosed
Send feedback