SCHEMBL9569401

SCHEMBL9569401

O=C(O)C(O)C1CCCN1C(=O)C1CCC[C@@H]1C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SCN9A Q15858 2/20 0.45
▸ MC4R P32245 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ FKBP1A P62942 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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 1.00 F2 (0.50) F2ALDH1A1HPGDUSP2CYP3A4
SCHEMBL8994630 0.88 CYP3A4 (0.47) F2ALDH1A1HPGDUSP2CYP3A4
SCHEMBL9569386 0.81 SLC6A1 (0.41) HPGDPOLBSMN1; SMN2
SCHEMBL7290559 0.81 SLC6A1 (0.41) HPGDPOLBSMN1; SMN2
SCHEMBL9569339 0.81 F2 (0.56) F2ALDH1A1HPGDUSP2CYP3A4
SCHEMBL7282828 0.81 F2 (0.56) F2ALDH1A1HPGDUSP2CYP3A4
SCHEMBL7265280 0.81 F2 (0.53) F2ALDH1A1HPGDUSP2CYP3A4
SCHEMBL8633510 0.81 F2 (0.53) F2ALDH1A1HPGDUSP2CYP3A4
SCHEMBL12300145 0.74 SMN1; SMN2 (0.71) F2ALDH1A1HPGDUSP2SCN9A
SCHEMBL30239976 0.72 MC4R (0.74) F2ALDH1A1HPGDUSP2SCN9A

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
EP-0537802-A2 N-acylpyrrolidines and N-acylthiazolidines, process for their preparation and their use for prevention and/or treatment of amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1993-04-21 — — EP claimed
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