SCHEMBL31027424

SCHEMBL31027424

CC(C)(C)OC(=O)N1CCC2(CC1)CNC2c1ncnc2ccc(CCc3ccccc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ KIT P10721 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ TLR9 Q9NR96 4/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ PARP1 P09874 4/20 0.39
▸ TNKS O95271 2/20 0.39
▸ TNKS2 Q9H2K2 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ STS P08842 1/20 0.37

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
SCHEMBL31027427 0.91 NAMPT (0.49) OPRD1OPRK1KITNAMPTPARP1
SCHEMBL25225988 0.79 KIT (0.49) OPRD1OPRK1KITSLC2A1TLR9
SCHEMBL30455937 0.79 KIT (0.49) OPRD1OPRK1KITSLC2A1TLR9
SCHEMBL31027436 0.76 NAMPT (0.41) KITNAMPT
SCHEMBL31027396 0.76 NAMPT (0.41) KITNAMPTGPR119
SCHEMBL31027446 0.75 NAMPT (0.41) NAMPTGPR119
SCHEMBL8218920 0.75 GPR119 (0.48) OPRD1OPRK1NAMPTGPR119TACR1
SCHEMBL31027420 0.71 KIT (0.44) KITNAMPTPARP1TNKSTNKS2
SCHEMBL25437390 0.70 KIT (0.51) KITNAMPTPARP1TNKSTNKS2
SCHEMBL30406053 0.70 KIT (0.51) KITNAMPTPARP1TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118647378-A Inhibitors of Mei Nen protein interaction with MLL 巴拉疗法公司 2024-09-13 — — CN disclosed
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