SCHEMBL31048352

SCHEMBL31048352

CC(C)(C)OC(=O)NC[C@@H]1COCCCN1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIGMAR1 Q99720 5/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
SCN9A Q15858 1/20 0.41
CCR2 P41597 2/20 0.41

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
SCHEMBL6176499 0.94 KMT2A (0.47) KMT2AL3MBTL1SIGMAR1OPRM1OPRD1
SCHEMBL6176496 0.94 KMT2A (0.47) KMT2AL3MBTL1SIGMAR1OPRM1OPRD1
SCHEMBL9091685 0.86 OPRM1 (0.55) KMT2AL3MBTL1SIGMAR1OPRM1OPRD1
SCHEMBL14290582 0.86 OPRM1 (0.55) KMT2AL3MBTL1SIGMAR1OPRM1OPRD1
SCHEMBL10682348 0.83 KMT2A (0.51) KMT2AL3MBTL1SIGMAR1OPRM1OPRD1
SCHEMBL31048320 0.80 OPRD1 (0.41) KMT2AL3MBTL1OPRD1
SCHEMBL14357537 0.80 SIGMAR1 (0.52) KMT2AL3MBTL1SIGMAR1NPFFR1NPFFR2
SCHEMBL6535932 0.79 KMT2A (0.49) KMT2AL3MBTL1SIGMAR1OPRM1OPRD1
SCHEMBL15722751 0.79 SIGMAR1 (0.51) KMT2AL3MBTL1SIGMAR1NPFFR1NPFFR2
SCHEMBL30500906 0.79 NPFFR1 (0.50) KMT2AL3MBTL1SIGMAR1OPRM1OPRD1

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
WO-2024178304-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-08-29 WO disclosed