SCHEMBL7419019

SCHEMBL7419019

CC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccc(NC(=N)N)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TPSAB1 Q15661 7/20 0.50
TPSD1 Q9BZJ3 7/20 0.50
TPSG1 Q9NRR2 7/20 0.50
PRSS1 P07477 5/20 0.50
LMNA P02545 1/20 0.50
F2 P00734 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
NAMPT P43490 2/20 0.49
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
GPR119 Q8TDV5 1/20 0.46

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
SCHEMBL12801417 0.83 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CYP2C19MAPT
SCHEMBL7436458 0.83 TPSAB1 (0.48) MEN1KMT2ATPSAB1TPSD1TPSG1
SCHEMBL7554479 0.82 TPSAB1 (0.53) MEN1KMT2AMAPTTPSAB1TPSD1
SCHEMBL7424872 0.82 TPSAB1 (0.53) MEN1KMT2ATPSAB1TPSD1TPSG1
SCHEMBL7965007 0.81 TPSAB1 (0.69) MEN1KMT2AMAPTTPSAB1TPSD1
SCHEMBL15504601 0.81 TP53 (0.55) MEN1KMT2ASMN1; SMN2CYP2C19MAPT
SCHEMBL15515225 0.81 KDM4E (0.63) MEN1KMT2ASMN1; SMN2CYP2C19HTT
SCHEMBL7415218 0.81 TPSAB1 (0.77) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7421119 0.81 TPSG1 (0.69) MAPTTPSAB1TPSD1TPSG1PRSS1
SCHEMBL5595635 0.80 NAMPT (0.58) MAPTNPSR1NAMPT

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 4 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
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 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