SCHEMBL7418802

SCHEMBL7418802

N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OCC(OC(=O)N3CCN(C(=O)NCc4ccc(NC(=N)N)cc4)CC3)C34CC=C(CC3)CC4)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 12/20 0.44
TPSG1 Q9NRR2 11/20 0.44
TPSD1 Q9BZJ3 10/20 0.44
PRSS1 P07477 9/20 0.44
PLG P00747 1/20 0.44
F2 P00734 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MAPT P10636 2/20 0.39
ABL1 P00519 1/20 0.39
POLB P06746 1/20 0.39
RIN1 Q13671 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL7965007 0.78 TPSAB1 (0.69) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7421494 0.76 TPSAB1 (0.57) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7554479 0.75 TPSAB1 (0.53) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7421119 0.73 TPSG1 (0.69) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7419019 0.73 MEN1 (0.52) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7424872 0.71 TPSAB1 (0.53) TPSAB1TPSG1TPSD1PRSS1F2
SCHEMBL7421440 0.70 TPSG1 (0.71) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7415218 0.70 TPSAB1 (0.77) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7436458 0.70 TPSAB1 (0.48) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL12431419 0.69 TPSG1 (0.71) TPSAB1TPSG1TPSD1PRSS1PLG

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