SCHEMBL30406292

SCHEMBL30406292

CCCCOC(=O)N1CCC2(CC1)CN(c1ncnc3ccc(CC(F)(F)F)nc13)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ ENPP2 Q13822 9/20 0.36
▸ ATXN2 Q99700 9/20 0.36
▸ HRH2 P25021 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GALR2 O43603 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34

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
SCHEMBL30406358 0.86 MAPT (0.35) OPRD1OPRK1ENPP2ATXN2HRH2
SCHEMBL30455880 0.86 MAP4K4 (0.47) MAP4K4GPR119ALDH1A1CYP3A4CYP2D6
SCHEMBL25228757 0.84 MEN1 (0.38) ALDH1A1CYP3A4CYP2D6HSD17B10SMN1; SMN2
SCHEMBL30405843 0.83 OPRD1 (0.36) OPRD1OPRK1ENPP2ATXN2GPR119
SCHEMBL30406045 0.80 MAPK7 (0.44) ENPP2ATXN2HRH2HRH1
SCHEMBL30406184 0.79 OPRD1 (0.38) OPRD1OPRK1ENPP2ATXN2HRH2
SCHEMBL30405783 0.79 MTNR1B (0.42) OPRD1OPRK1ENPP2ATXN2ALDH1A1
SCHEMBL30405246 0.78 OPRD1 (0.38) OPRD1OPRK1ENPP2ATXN2HRH2
SCHEMBL30405747 0.77 HTT (0.48) OPRD1OPRK1ENPP2ATXN2ALDH1A1
SCHEMBL30405336 0.77 PDGFRB (0.41) OPRD1OPRK1ALDH1A1KDM4ELMNA

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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