SCHEMBL29283185

SCHEMBL29283185

NC(=O)OC1CCN(c2cc(Cl)ncn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ HRH3 Q9Y5N1 12/20 0.38
▸ DCK P27707 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ KMO O15229 1/20 0.36

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
SCHEMBL19639677 0.84 LMNA (0.42) LMNAHRH3GPR119
SCHEMBL16684935 0.84 HRH3 (0.40) HRH3GPR119
SCHEMBL12288882 0.82 CYP3A4 (0.51) LMNALOXL2
SCHEMBL17077859 0.82 CYP2C19 (0.53) HRH3DCK
SCHEMBL17748977 0.81 LMNA (0.39) LMNAGPR119LOXL2KMO
SCHEMBL1775467 0.80 LMNA (0.64) LMNA
SCHEMBL28382199 0.78 JAK2 (0.45) HRH3DCKLOXL2
SCHEMBL20445970 0.77 BTK (0.43) HRH3GPR119LOXL2
SCHEMBL28541728 0.77 BTK (0.43) HRH3GPR119LOXL2
SCHEMBL25197786 0.77 LMNA (0.58) LMNALOXL2KMO

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
CN-118084865-A Pyrimidine compound containing aminopiperidine structure, and preparation method and application thereof 贵州大学 2024-05-28 — — CN disclosed
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