SCHEMBL30087194

SCHEMBL30087194

COC(=O)c1cc(NC[C@@H]2CCO2)c([N+](=O)[O-])c(OCCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.38
▸ MAPT P10636 11/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL27176931 1.00 HCAR3 (0.38) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL29170097 0.92 HCAR3 (0.44) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL30966734 0.88 MAPT (0.43) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL27176942 0.86 HCAR3 (0.42) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL30087091 0.86 HCAR3 (0.42) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL27176783 0.86 KMT2A (0.33) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL31160154 0.86 HCAR3 (0.41) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL30966502 0.84 ALDH1A1 (0.44) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL30087138 0.84 HCAR3 (0.40) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL27176777 0.84 HCAR3 (0.40) HCAR3MAPTALDH1A1KMT2AMEN1

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-4341255-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS Eli Lilly and Company (US) 2024-03-27 — — EP disclosed
WO-2022246019-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2022-11-24 — — WO disclosed
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