SCHEMBL30405783

SCHEMBL30405783

CCCCOC(=O)N1CCC2(CC1)CCN(c1ncnc3ccc(CC(F)(F)F)cc13)CC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 2/20 0.42
▸ PDGFRB P09619 9/20 0.41
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ PDGFRA P16234 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GALR2 O43603 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AKT1 P31749 3/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ ATXN2 Q99700 1/20 0.38
▸ MAPK7 Q13164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ IDE P14735 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL30405336 0.93 PDGFRB (0.41) PDGFRBOPRD1OPRK1PDGFRAHTT
SCHEMBL30406372 0.87 KIT (0.49) MTNR1BPDGFRBPDGFRAAKT1
SCHEMBL25229793 0.84 AKT1 (0.42) MTNR1BPDGFRBHTTAKT1HPGD
SCHEMBL30406045 0.82 MAPK7 (0.44) MTNR1BENPP2ATXN2MAPK7
SCHEMBL19032194 0.81 KIT (0.44) MTNR1BPDGFRBPDGFRAAKT1
SCHEMBL30405237 0.81 KIT (0.44) AKT1
SCHEMBL25280892 0.81 KIT (0.44) AKT1
SCHEMBL30405888 0.81 PDGFRB (0.41) MTNR1BPDGFRBOPRD1OPRK1PDGFRA
SCHEMBL30405875 0.80 PDGFRB (0.39) MTNR1BPDGFRBOPRD1OPRK1PDGFRA
SCHEMBL25281209 0.80 MEN1 (0.44) MTNR1BAKT1HPGD

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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