SCHEMBL8994630

SCHEMBL8994630

CCOC(=O)C(O)[C@@H]1CCCN1C(=O)C1CCC[C@H]1C(=O)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ F2 P00734 2/20 0.45
▸ ACE P12821 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PREP P48147 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SCN9A Q15858 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
SCHEMBL7328756 0.88 F2 (0.50) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL9569401 0.88 F2 (0.50) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL8994560 0.83 ACE (0.46) PKMACELMNAALDH1A1NPC1
SCHEMBL8994559 0.83 ACE (0.46) PKMACELMNAALDH1A1NPC1
SCHEMBL7265280 0.76 F2 (0.53) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL8633510 0.76 F2 (0.53) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL9569339 0.76 F2 (0.56) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL7282828 0.76 F2 (0.56) CYP3A4CYP2C9PKMCYP2C19F2
SCHEMBL9873989 0.74 ALDH1A1 (0.50) CYP3A4ACELMNAALDH1A1
SCHEMBL12300145 0.72 SMN1; SMN2 (0.71) F2ALDH1A1USP2HPGDSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545657-A 1-ALKYLOYLPYRROLIDIN-2-YLOXOALKANOIC ACIDS AND DERIVATIVES; ANTIAMNESIA AGENTS; INHIBITORS OF PROLYL ENDOPEPTIDASE; SUPPRESSION OF NEUROTRANSMITTER METABOLISM ONO PHARMACEUTICAL CO., LTD. (JP) 1996-08-13 — — US disclosed
US-5212191-A Thiazoline derivatives for treatment of amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 — — US disclosed
US-5053414-A Thiazolidine derivatives, enzyme inhibitors; amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1991-10-01 — — US disclosed
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