SCHEMBL30406184

SCHEMBL30406184

CCCCOC(=O)N1CCC2(CC1)CN(c1ncnc3ccc(Br)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
▸ 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 9/20 0.36
▸ ATXN2 Q99700 9/20 0.36
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 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
SCHEMBL30405246 0.90 OPRD1 (0.38) OPRD1OPRK1GPR119SMN1; SMN2LMNA
SCHEMBL30405843 0.88 OPRD1 (0.36) OPRD1OPRK1GPR119SMN1; SMN2LMNA
SCHEMBL31579068 0.84 MAP4K4 (0.43) GPR119ALDH1A1CYP3A4CYP2D6HSD17B10
SCHEMBL30405747 0.82 HTT (0.48) OPRD1OPRK1SMN1; SMN2LMNAENPP2
SCHEMBL25274640 0.82 AKT1 (0.36) SMN1; SMN2ALDH1A1CYP3A4CYP2D6HSD17B10
SCHEMBL30406045 0.79 MAPK7 (0.44) ENPP2ATXN2HRH2HRH1
SCHEMBL30406292 0.79 OPRD1 (0.37) OPRD1OPRK1GPR119SMN1; SMN2LMNA
SCHEMBL30405814 0.77 HTT (0.38) OPRD1OPRK1GPR119SMN1; SMN2LMNA
SCHEMBL30405798 0.75 OPRD1 (0.43) OPRD1OPRK1ENPP2ATXN2ALDH1A1
SCHEMBL30405888 0.75 PDGFRB (0.41) OPRD1OPRK1SMN1; SMN2POLBENPP2

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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