Sugi Predict

Sugi Predict / Compounds / SCHEMBL29196830

SCHEMBL29196830

SCHEMBL29196830

NCCN1CCN(c2ccc(N3CC(CO)OC3=O)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALML3 P27482 7/20 0.55
▸ MAOB P27338 10/20 0.54
▸ MAOA P21397 4/20 0.54
▸ LMNA P02545 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ SDHA P31040 1/20 0.54
▸ F10 P00742 4/20 0.49

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
SCHEMBL29196827 1.00 CALML3 (0.55) CALML3MAOBMAOALMNAPTGS1
SCHEMBL28109794 0.87 CALML3 (0.65) CALML3MAOBMAOALMNAPTGS1
SCHEMBL28109791 0.85 CALML3 (0.64) CALML3MAOBMAOALMNAPTGS1
SCHEMBL16204405 0.85 CALML3 (0.64) CALML3MAOBMAOALMNAPTGS1
SCHEMBL5571685 0.85 MAOB (0.76) CALML3MAOBMAOALMNAPTGS1
SCHEMBL29196813 0.85 CALML3 (0.55) CALML3MAOBMAOALMNAPTGS1
SCHEMBL29196815 0.85 CALML3 (0.55) CALML3MAOBMAOALMNAPTGS1
SCHEMBL28110345 0.85 MAOB (0.58) CALML3MAOBMAOALMNAPTGS1
SCHEMBL28428084 0.85 MAOB (0.58) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6453422 0.85 CALML3 (0.56) CALML3MAOBMAOALMNAPTGS1

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-116283925-A Iminophenazine derivative coupling molecule for treating bacterial infection and application thereof 丹诺医药(苏州）有限公司 2023-06-23 — — CN disclosed