SCHEMBL7420126

SCHEMBL7420126

N=C(N)c1ccc(CCC(=O)N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.65
PRSS1 P07477 2/20 0.65
TPSAB1 Q15661 2/20 0.65
TPSD1 Q9BZJ3 2/20 0.65
TPSG1 Q9NRR2 2/20 0.65
PLG P00747 1/20 0.65
ITGB3 P05106 7/20 0.59
ITGA2B P08514 7/20 0.59
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NAAA Q02083 1/20 0.50
F10 P00742 1/20 0.49
FKBP1A P62942 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 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
SCHEMBL4420271 0.88 F2 (0.67) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7428430 0.79 TPSAB1 (1.00) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7076872 0.78 NAAA (0.55) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7072198 0.77 F2 (0.53) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7075075 0.77 CNR1 (0.56) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7076655 0.77 ALDH1A1 (0.55) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7118598 0.76 ITGB3 (0.74) F2PRSS1PLGITGB3ITGA2B
SCHEMBL7074868 0.76 KMT2A (0.52) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL27618024 0.74 F2 (0.63) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7131839 0.74 NPC1 (0.86) NPC1TDP1NAAAFKBP1ATSHR

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
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP disclosed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO disclosed