SCHEMBL27398776

SCHEMBL27398776

CC(C)C(=O)Cc1ccc(CN(CC(=O)O)[C@@H]2CCCC[C@H]2N(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.35
▸ SIGMAR1 Q99720 5/20 0.35
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ APEX1 P27695 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23085113 1.00 SLC18A3 (0.35) SLC18A3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL25703473 0.92 LTA4H (0.33) SLC18A3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL25703442 0.89 ATM (0.34) SLC18A3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL25703421 0.89 SIGMAR1 (0.37) SLC18A3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL27403757 0.87 MEN1 (0.40) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL22593578 0.86 CA2 (0.41) SLC18A3SIGMAR1APEX1BLMPMP22
SCHEMBL22815239 0.85 SLC18A3 (0.38) SLC18A3SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL27398620 0.85 SLC18A3 (0.38) SLC18A3SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL30329419 0.83 CA2 (0.40) SLC18A3SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL25162267 0.82 SLC18A3 (0.35) SLC18A3SIGMAR1SMN1; SMN2MEN1KMT2A

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-2024129479-A2 CYCLIC PEPTIDES AS PET IMAGING AGENTS OF GRANZYME B MERCK SHARP & DOHME LLC (US) 2024-06-20 — — WO disclosed
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