SCHEMBL25039766

SCHEMBL25039766

CC1CN(c2ccc(NCC3CCCCC3)cc2Cl)CC(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPY2R P49146 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ACHE P22303 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL30279228 0.88 L3MBTL1 (0.38) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL13462690 0.88 L3MBTL1 (0.38) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL11935240 0.88 L3MBTL1 (0.38) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL25039762 0.88 L3MBTL1 (0.38) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL13438921 0.88 L3MBTL1 (0.38) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL25042227 0.84 ACHE (0.43) HPGDTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL13565035 0.81 NPY2R (0.41) HPGDGAAMAPK1SMN1; SMN2NPY2R
SCHEMBL17090448 0.81 NPY2R (0.41) HPGDGAAMAPK1SMN1; SMN2NPY2R
SCHEMBL17090181 0.81 NPY2R (0.41) HPGDGAAMAPK1SMN1; SMN2NPY2R
SCHEMBL11941125 0.81 NPY5R (0.40) NPY2RKDM4ELMNA

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-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
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