SCHEMBL7558531

SCHEMBL7558531

CC(C)CCN(C(=O)OCc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)NCCCc2ccccc2)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
TBXA2R P21731 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CNR1 P21554 1/20 0.36
KCNA5 P22460 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TPSAB1 Q15661 1/20 0.36

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
SCHEMBL7047979 0.89 TBXA2R (0.41) DAGLATBXA2RSMN1; SMN2CCR6PAX8
SCHEMBL7044843 0.89 L3MBTL1 (0.39) DAGLATBXA2RNPC1RAB9ASMN1; SMN2
SCHEMBL7186571 0.88 MASP2 (0.38) DAGLAKMT2AMEN1TBXA2RRAB9A
SCHEMBL7047180 0.87 P2RX7 (0.37) DAGLA
SCHEMBL7049295 0.83 DAGLA (0.41) DAGLAKMT2A
SCHEMBL6467199 0.82 DAGLA (0.41) DAGLAGAATBXA2RNPC1RAB9A
SCHEMBL7567535 0.81 DAGLA (0.43) DAGLAKMT2AFAAHLMNAPKM
SCHEMBL7047182 0.81 DAGLA (0.39) DAGLAUSP2SMN1; SMN2MAPK1
SCHEMBL7183270 0.81 MGLL (0.40) KMT2AMEN1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7046959 0.78 DAGLA (0.45) DAGLAFAAH

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-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed