SCHEMBL31262880

SCHEMBL31262880

C[C@@H](c1ccccc1)[C@H](Nc1ccccc1)C(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ DPP4 P27487 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CHRM1 P11229 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL31262932 0.99 CTSL (0.49) CTSLCTSBCTSKDPP4ALDH1A1
SCHEMBL31262951 0.88 ALDH1A1 (0.52) ALDH1A1HTTNPC1GAAMAPT
SCHEMBL31263024 0.81 ALDH1A1 (0.48) ALDH1A1NPC1GAAMAPTHPGD
SCHEMBL31378269 0.80 CTSL (0.49) CTSLCTSBCTSKDPP4ALDH1A1
SCHEMBL31263167 0.80 TDP1 (0.45) CTSLCTSBCTSKALDH1A1LMNA
SCHEMBL9158572 0.79 GAA (0.50) CTSLCTSBCTSKALDH1A1HTT
SCHEMBL27459999 0.79 ALDH1A1 (0.50) CTSLCTSBCTSKALDH1A1HTT
SCHEMBL31262958 0.75 LMNA (0.46) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL18526676 0.75 CNR1 (0.55) ALDH1A1HTTEPHX2CHRM1GAA
SCHEMBL17776425 0.75 CNR1 (0.55) ALDH1A1HTTEPHX2CHRM1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702000-A1 ALKYLATION PROCESS University of Liverpool (GB) 2026-03-04 — — EP disclosed
WO-2024224034-A1 ALKYLATION PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2024-10-31 — — WO disclosed
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