SCHEMBL25181015

SCHEMBL25181015

C[C@@H]1CN(c2ccc(N)nn2)C[C@H](C)N1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ PANK3 Q9H999 4/20 0.36
▸ SORD Q00796 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.34
▸ CHRNA7 P36544 3/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16872554 0.82 LMNA (0.38) KMT2ALMNAHTTCHRNA7HTR3A
SCHEMBL25187820 0.82 KMT2A (0.57) KMT2APANK3LMNAHTTCHRNB4
SCHEMBL25186819 0.82 PANK3 (0.48) PANK3
SCHEMBL25265269 0.82 PANK3 (0.48) PANK3
SCHEMBL31104973 0.81 MAP4K4 (0.44) HSD11B1
SCHEMBL30427032 0.81 MAP4K4 (0.44) HSD11B1
SCHEMBL20929744 0.80 KMT2A (0.41) KMT2ASORDCHRNA7HTR3ACHRNB4
SCHEMBL26081837 0.80 KMT2A (0.41) KMT2ASORDCHRNA7HTR3ACHRNB4
SCHEMBL26087221 0.79 HSD11B1 (0.41) HSD11B1CHRM4CHRNA7
SCHEMBL25435546 0.77 CHRM4 (0.38) HSD11B1KMT2ACHRM4HCAR2CHRNA7

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-2023092098-A1 HETEROCYCLIC AMIDES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-25 — — WO disclosed
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