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SCHEMBL6990509

SCHEMBL6990509

CC1(C)SCC(OC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)N1c1cccc(C(=N)N)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.54
▸ PRSS1 P07477 15/20 0.54
▸ F2 P00734 14/20 0.54
▸ PRSS2 P07478 12/20 0.54
▸ PRSS3 P35030 12/20 0.54
▸ F9 P00740 1/20 0.54
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL6985228 0.94 F2 (0.54) F10PRSS1F2PRSS2PRSS3
SCHEMBL6987087 0.87 F10 (0.55) F10PRSS1F2PRSS2PRSS3
SCHEMBL7065403 0.87 F10 (0.58) F10PRSS1F2PRSS2PRSS3
SCHEMBL6985947 0.83 F10 (0.55) F10PRSS1F2PRSS2PRSS3
SCHEMBL6987059 0.82 F10 (0.60) F10PRSS1F2PRSS2PRSS3
SCHEMBL6988504 0.81 F10 (0.56) F10PRSS1F2PRSS2PRSS3
SCHEMBL6986473 0.81 F10 (0.58) F10PRSS1F2PRSS2PRSS3
SCHEMBL6987452 0.81 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL6986465 0.81 F2 (0.54) F10PRSS1F2PRSS2PRSS3
SCHEMBL7091410 0.80 F10 (0.55) F10PRSS1F2PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301506-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-16 — — EP disclosed
WO-2002006269-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-24 — — WO disclosed