SCHEMBL7419360

SCHEMBL7419360

N=C(N)Nc1ccc(CC(=O)N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
ME2 P23368 3/20 0.44
ME1 P48163 3/20 0.44
ME3 Q16798 3/20 0.44
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
GFER P55789 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL7443913 0.82 TPSAB1 (0.61) NAMPTF2PRSS1TPSAB1TPSD1
SCHEMBL7424872 0.81 TPSAB1 (0.53) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7422920 0.80 TPSAB1 (0.74) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL7579428 0.78 TPSAB1 (0.41) NAMPTGAAPOLBSMN1; SMN2F2
SCHEMBL7495608 0.78 TPSAB1 (0.57) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL4099538 0.77 KMT2A (0.57) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7444750 0.76 ALDH1A1 (0.47) GAAPOLBSMN1; SMN2F2PRSS1
Hydrochloric Acid SCHEMBL7319435 0.76 KMT2A (0.56) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10680103 0.75 SMN1; SMN2 (0.42) GAAPOLBSMN1; SMN2F2PRSS1
Trifluoroacetic Acid SCHEMBL7436446 0.75 TPSAB1 (0.47) F2PRSS1TPSAB1TPSD1TPSG1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1073103-C Compounds and compositions for treating diseases associated with tryptase activity ARRIS PHARM CORP (US) 2001-10-17 CN disclosed
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed
CN-1226892-A Novel compounds and compositions for the treatment of diseases associated with tryptase activity ARRIS PHARM CORP (US) 1999-08-25 CN 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