Amidate

Amidate

SCHEMBL30937751

CCOC(=O)c1cncn1C(C)c1ccccc1.CCc1ncc(C(=O)O)n1[C@H](C)c1ccccc1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Amidate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 known ✓ P14867 7/20 0.74
▸ GABRB2 known ✓ P47870 6/20 0.74
▸ GABRA2 known ✓ P47869 1/20 0.74
▸ CYP11B2 P19099 3/20 0.74
▸ CYP1A2 P05177 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ CYP11B1 P15538 2/20 0.74
▸ LMNA P02545 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ ABCB11 O95342 1/20 0.74
▸ ALDH1A1 P00352 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ MAPK1 P28482 1/20 0.55
▸ GPBAR1 Q8TDU6 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.34

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
Amidate SCHEMBL1817757 0.86 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL39485 0.86 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Etomidate SCHEMBL39487 0.86 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
S-Etomidate SCHEMBL39486 0.86 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL901536 0.85 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL1098161 0.85 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL22502728 0.85 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL21773562 0.85 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL668471 0.85 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL363786 0.85 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4

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
CN-119395193-A Etomidate intermediate and separation detection method of enantiomer thereof 重庆药友制药有限责任公司 2025-02-07 — — CN disclosed
CN-119224176-A Etomidate intermediate and separation detection method of enantiomer thereof 重庆药友制药有限责任公司 2024-12-31 — — CN disclosed
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