SCHEMBL25174352

SCHEMBL25174352

CC(C)(C)OC(=O)N1CCC(NC(=O)C2CCN(c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.53
▸ GPR119 Q8TDV5 3/20 0.52
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TRPV1 Q8NER1 5/20 0.49
▸ USP30 Q70CQ3 3/20 0.48
▸ STS P08842 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SUV39H2 Q9H5I1 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CCR2 P41597 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL30371872 1.00 NOTUM (0.53) NOTUMGPR119LMNAHTTUSP2
SCHEMBL13613090 0.86 POLB (0.55) NOTUMGPR119LMNAHTTUSP2
SCHEMBL13758488 0.86 POLB (0.55) NOTUMGPR119LMNAHTTUSP2
SCHEMBL2187327 0.81 POLB (0.71) NOTUMGPR119LMNAHTTUSP2
SCHEMBL22499987 0.81 NOTUM (0.57) NOTUMLMNAHTTUSP2MAPK1
SCHEMBL29689683 0.81 NOTUM (0.57) NOTUMLMNAHTTUSP2MAPK1
SCHEMBL4329546 0.79 POLB (0.61) NOTUMLMNAHTTUSP2MAPK1
SCHEMBL21542308 0.79 ALDH1A1 (0.65) GPR119LMNAHTTMAPK1POLB
SCHEMBL21856300 0.79 EPHX2 (0.53) HTTMAPK1POLBEPHX2MAPT
SCHEMBL21958729 0.79 EPHX2 (0.53) HTTMAPK1POLBEPHX2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081662-A1 BICYCLIC DERIVATIVES AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 — — WO disclosed
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