SCHEMBL22073807

SCHEMBL22073807

COc1ccc(CN2CC=CCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.72
▸ MAOB P27338 1/20 0.72
▸ SIGMAR1 Q99720 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ PTGIR P43119 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ CHKA P35790 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HRH2 P25021 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL2429828 0.88 SIGMAR1 (0.62) MAOAMAOBSIGMAR1SMN1; SMN2PTGIR
SCHEMBL22468374 0.85 SIGMAR1 (0.60) MAOAMAOBSIGMAR1SMN1; SMN2PTGIR
SCHEMBL10729859 0.81 ALDH1A1 (0.55) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL979576 0.81 SIGMAR1 (0.69) MAOAMAOBSIGMAR1SMN1; SMN2PTGIR
SCHEMBL19285228 0.80 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKAALDH1A1
SCHEMBL20804352 0.80 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKAALDH1A1
SCHEMBL1043952 0.80 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKAALDH1A1
Hydrochloric Acid SCHEMBL10734488 0.79 ALDH1A1 (0.53) MAOAMAOBSIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL10734307 0.79 MAOA (0.48) MAOAMAOBSMN1; SMN2KMT2AALDH1A1
SCHEMBL10733638 0.77 MAOA (0.47) MAOAMAOBDRD2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890936-A Synthetic method of 5, 6-dihydro-2 (1H) -pyridone 南京师范大学 2022-08-12 — — CN claimed
CN-114890936-B Synthesis method of 5, 6-dihydro-2 (1H) -pyridone 南京师范大学 2023-10-03 — — CN disclosed
CN-114890936-B Synthesis method of 5, 6-dihydro-2 (1H) -pyridone 南京师范大学 2023-10-03 — — CN disclosed
CN-116694374-A System for synthesizing 5, 6-dihydro-2 (IH) -pyridone based on photo-thermal and zero pollution extraction 常州大学 2023-09-05 — — CN disclosed
CN-114890936-A Synthetic method of 5, 6-dihydro-2 (1H) -pyridone 南京师范大学 2022-08-12 — — CN disclosed
CN-114890936-A Synthetic method of 5, 6-dihydro-2 (1H) -pyridone 南京师范大学 2022-08-12 — — CN disclosed
WO-2020117942-A1 CHOLINE METABOLISM INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-11 — — WO disclosed
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