SCHEMBL23955947

SCHEMBL23955947

CC(=O)[C@@H]1CCCCC1C(=O)N(N)CCN1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.36
▸ CHRM5 P08912 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ RAD52 P43351 1/20 0.35
▸ PADI1 Q9ULC6 1/20 0.32
▸ PADI4 Q9UM07 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CXCR4 P61073 1/20 0.30
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30

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
SCHEMBL9887637 1.00 SIGMAR1 (0.36) SIGMAR1CHRM5CHRM3RAD52PADI1
SCHEMBL23955948 1.00 SIGMAR1 (0.36) SIGMAR1CHRM5CHRM3RAD52PADI1
SCHEMBL9887646 0.89 L3MBTL1 (0.34) SIGMAR1CHRM5CHRM3ALDH1A1MAPT
SCHEMBL14980975 0.89 L3MBTL1 (0.34) SIGMAR1CHRM5CHRM3ALDH1A1MAPT
SCHEMBL9887647 0.89 L3MBTL1 (0.34) SIGMAR1CHRM5CHRM3ALDH1A1MAPT
SCHEMBL21974892 0.88 L3MBTL1 (0.37) SIGMAR1CHRM5CHRM3ALDH1A1MAPT
SCHEMBL23020573 0.88 L3MBTL1 (0.37) SIGMAR1CHRM5CHRM3ALDH1A1MAPT
SCHEMBL20879918 0.86 CHRM5 (0.36) SIGMAR1CHRM5CHRM3RAD52PADI1
SCHEMBL24098133 0.84 SIGMAR1 (0.41) SIGMAR1ALDH1A1
SCHEMBL20879964 0.84 KMT2A (0.38) ALDH1A1MAPTMEN1KMT2A

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
EP-2596805-B1 Prodrug comprising a drug-linker conjugate ASCENDIS PHARMA AS (DK) 2021-10-27 — — EP disclosed
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