SCHEMBL7419937

SCHEMBL7419937

NCCC1CCCCN1N1CCN(C(=O)O[C@H]2CCC[C@@H](OC(=O)N3CCN(N4CCCCC4CCN)CC3)CCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 19/20 0.49
TPSD1 Q9BZJ3 19/20 0.49
TPSG1 Q9NRR2 19/20 0.49
PRSS1 P07477 5/20 0.44
F2 P00734 3/20 0.42
PLG P00747 1/20 0.41

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
SCHEMBL7474183 0.79 TPSAB1 (0.56) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL16467967 0.72 HSD11B1 (0.48) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL8275268 0.72 TPSAB1 (0.51) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7422621 0.71 TPSAB1 (0.67) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL12991729 0.70 HSD11B1 (0.52) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL28206534 0.70 HSD11B1 (0.52) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL13016393 0.70 HSD11B1 (0.52) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL16468337 0.68 TPSAB1 (0.47) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL12791455 0.67 HSD11B1 (0.47) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL25889068 0.66 HSD11B1 (0.50) TPSAB1TPSD1TPSG1PRSS1F2

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-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP claimed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO claimed