SCHEMBL7415237

SCHEMBL7415237

NCCc1ccc(CC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)Cc5ccc(CCN)cc5)CC4)CCC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 18/20 1.00
TPSD1 Q9BZJ3 18/20 1.00
TPSG1 Q9NRR2 18/20 1.00
PRSS1 P07477 8/20 0.71
F2 P00734 6/20 0.71
PLG P00747 2/20 0.61
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7420536 0.85 TPSAB1 (0.74) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7422609 0.82 TPSAB1 (0.83) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7422920 0.80 TPSAB1 (0.74) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7428430 0.76 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7426287 0.74 TPSAB1 (0.75) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7422450 0.72 TPSAB1 (0.82) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7469000 0.72 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
Hydrochloric Acid SCHEMBL7425867 0.71 TPSAB1 (0.80) TPSAB1TPSD1TPSG1PRSS1F2
Hydrochloric Acid SCHEMBL7958973 0.71 TPSAB1 (0.80) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7422621 0.70 TPSAB1 (0.67) 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 3 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
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed