SCHEMBL31027427

SCHEMBL31027427

CC(C)(C)OC(=O)N1CCC2(CC1)CNC2c1ncnc2ccc(CCc3cccnc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.49
▸ GPR119 Q8TDV5 2/20 0.42
▸ KIT P10721 1/20 0.42
▸ CYP2C9 P11712 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ GBA1 P04062 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 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
SCHEMBL31027424 0.91 OPRD1 (0.41) NAMPTGPR119KITOPRD1OPRK1
SCHEMBL25437390 0.80 KIT (0.51) NAMPTGPR119KITTNKSPARP1
SCHEMBL30406053 0.80 KIT (0.51) NAMPTGPR119KITTNKSPARP1
SCHEMBL31027436 0.75 NAMPT (0.41) NAMPTKITCYP2C9
SCHEMBL31027396 0.74 NAMPT (0.41) NAMPTGPR119KIT
SCHEMBL31027446 0.74 NAMPT (0.41) NAMPTGPR119CYP2C9
SCHEMBL30455937 0.71 KIT (0.49) KITOPRD1OPRK1TNKSPARP1
SCHEMBL25225988 0.71 KIT (0.49) KITOPRD1OPRK1TNKSPARP1
SCHEMBL31027420 0.70 KIT (0.44) NAMPTGPR119KITCYP2C9TNKS
SCHEMBL16049766 0.68 NAMPT (0.59) NAMPTGPR119HDAC1HDAC6OPRD1

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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