SCHEMBL30406045

SCHEMBL30406045

CCCCOC(=O)N1CCC2(CC1)CN(c1ncnc3ccc(OC(F)(F)F)cc13)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 2/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ ENPP2 Q13822 11/20 0.42
▸ ATXN2 Q99700 11/20 0.42
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ KIT P10721 1/20 0.39

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
SCHEMBL25232266 0.86 MAPK7 (0.47) MAPK7EPHX2MTNR1BKIT
SCHEMBL30405747 0.86 HTT (0.48) MTNR1BENPP2ATXN2KIT
SCHEMBL30405719 0.86 MAPK7 (0.47) MAPK7EPHX2MTNR1BKIT
SCHEMBL25423050 0.85 MAPK7 (0.48) MAPK7EPHX2MTNR1BENPP2ATXN2
SCHEMBL30405798 0.82 OPRD1 (0.43) MTNR1BENPP2ATXN2
SCHEMBL30405783 0.82 MTNR1B (0.42) MAPK7MTNR1BENPP2ATXN2
SCHEMBL30405888 0.82 PDGFRB (0.41) MTNR1BENPP2ATXN2
SCHEMBL30405875 0.81 PDGFRB (0.39) MTNR1BENPP2ATXN2
SCHEMBL30405814 0.81 HTT (0.38) MTNR1BENPP2ATXN2
SCHEMBL30406292 0.80 OPRD1 (0.37) ENPP2ATXN2HRH2HRH1

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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