SCHEMBL30405246

SCHEMBL30405246

CCCCOC(=O)N1CCC2(CC1)CN(c1ncnc3ccc(C=O)c(F)c13)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ENPP2 Q13822 5/20 0.36
▸ ATXN2 Q99700 5/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GALR2 O43603 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 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
SCHEMBL30406184 0.90 OPRD1 (0.38) OPRD1OPRK1KMT2AMEN1GPR119
SCHEMBL30405843 0.86 OPRD1 (0.36) OPRD1OPRK1KMT2AMEN1GPR119
SCHEMBL31578990 0.84 MAP4K4 (0.42) GPR119HSD17B10ALDH1A1CYP3A4CYP2D6
SCHEMBL30405814 0.79 HTT (0.38) OPRD1OPRK1GPR119SMN1; SMN2LMNA
SCHEMBL30405747 0.79 HTT (0.48) OPRD1OPRK1SMN1; SMN2LMNAENPP2
SCHEMBL30406292 0.78 OPRD1 (0.37) OPRD1OPRK1MEN1GPR119SMN1; SMN2
SCHEMBL30406045 0.78 MAPK7 (0.44) ENPP2ATXN2HRH2HRH1
SCHEMBL30405798 0.75 OPRD1 (0.43) OPRD1OPRK1ENPP2ATXN2HSD17B10
SCHEMBL30405888 0.75 PDGFRB (0.41) OPRD1OPRK1SMN1; SMN2POLBENPP2
SCHEMBL30406110 0.75 HSD17B10 (0.44) OPRD1OPRK1SMN1; SMN2LMNAPOLB

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-4444300-A2 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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