SCHEMBL28650984

SCHEMBL28650984

C[C@H](CN1CC(c2ccccc2)C1)OC(=O)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SLC18A3 Q16572 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ PRCP P42785 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RORC P51449 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL28928596 0.81 DRD2 (0.44) NPSR1POLBNPC1SMN1; SMN2
SCHEMBL28668669 0.80 SLC18A3 (0.45) NPSR1SLC18A3POLBMEN1KMT2A
SCHEMBL28668671 0.80 SLC18A3 (0.45) NPSR1SLC18A3POLBMEN1KMT2A
SCHEMBL28664131 0.80 RORC (0.39) MEN1KMT2ANPC1KDM1AALDH1A1
SCHEMBL28670701 0.76 DRD2 (0.53) POLB
SCHEMBL28650985 0.75 HDAC4 (0.48) MEN1KMT2AHDAC4KDM1AATM
SCHEMBL18215182 0.75 HDAC4 (0.48) MEN1KMT2AHDAC4KDM1AATM
SCHEMBL28669034 0.73 NPSR1 (0.51) NPSR1POLBALDH1A1SMN1; SMN2
SCHEMBL18205240 0.72 HDAC4 (0.52) SLC18A3MEN1KMT2AHDAC4PRCP
SCHEMBL18212456 0.70 SLC18A3 (0.46) SLC18A3ALDH1A1LMNA

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-107735088-B Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2021-11-02 — — CN disclosed
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