Sugi Predict

Sugi Predict / Compounds / SCHEMBL7414236

SCHEMBL7414236

SCHEMBL7414236

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(CC3CCN(C(=N)N)C3)Oc3ccccc32)N1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.40
▸ PRSS1 P07477 10/20 0.40
▸ F2 P00734 8/20 0.40
▸ PLG P00747 5/20 0.39
▸ PROC P04070 1/20 0.39
▸ LMNA P02545 1/20 0.34

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
SCHEMBL7413647 0.87 F10 (0.42) F10PRSS1F2PLGPROC
SCHEMBL7410177 0.86 F10 (0.41) F10PRSS1F2PLGPROC
SCHEMBL6280043 0.85 HDAC6 (0.36) F10PRSS1F2PLGPROC
SCHEMBL7516860 0.85 F10 (0.42) F10PRSS1F2PLGPROC
SCHEMBL7413979 0.85 TSHR (0.33) F10PRSS1F2
SCHEMBL7115232 0.82 F10 (0.59) F10PRSS1F2PLGPROC
SCHEMBL7413869 0.81 F10 (0.43) F10PRSS1F2PLGPROC
SCHEMBL7409263 0.80 F10 (0.42) F10PRSS1F2PLGPROC
SCHEMBL7407792 0.80 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL7403888 0.79 F10 (0.42) F10PRSS1F2PLGPROC

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-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 — — EP claimed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 — — WO claimed