SCHEMBL7411752

SCHEMBL7411752

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(Cc3cccc(CN)c3)Sc3ccccc32)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
PLG P00747 3/20 0.41
PRSS1 P07477 3/20 0.41
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM1A O60341 1/20 0.30
F2 P00734 2/20 0.30
PROC P04070 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL7410271 0.92 F10 (0.34) F10PLGPRSS1TSHRL3MBTL1
SCHEMBL7411988 0.88 F10 (0.46) F10PLGPRSS1F2PROC
SCHEMBL7412235 0.83 F10 (0.50) F10PLGPRSS1F2PROC
SCHEMBL7408657 0.81 F10 (0.35) F10PLGPRSS1TSHRL3MBTL1
SCHEMBL7411813 0.81 F10 (0.36) F10PLGPRSS1TSHRL3MBTL1
SCHEMBL7119739 0.81 F10 (0.60) F10PLGPRSS1F2PROC
SCHEMBL7416790 0.78 F10 (0.34) F10PLGPRSS1TSHRL3MBTL1
SCHEMBL7413490 0.77 TSHR (0.33) F10PLGPRSS1TSHRL3MBTL1
SCHEMBL7414194 0.77 CACNA1S (0.31) F10PLGPRSS1TSHRL3MBTL1
SCHEMBL7412228 0.77 CACNA1S (0.33) F10KDM1AHDAC3HDAC4HDAC1

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 disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed