Midazolam

Midazolam

SCHEMBL2687953

Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.O=C(O)/C=C\C(=O)O.O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 5/20 0.47
GABRA5 known ✓ P31644 5/20 0.47
GABRA3 known ✓ P34903 5/20 0.47
GABRA2 known ✓ P47869 5/20 0.47
GABRB2 known ✓ P47870 5/20 0.47
GABRG2 known ✓ P18507 3/20 0.47
GABRB3 known ✓ P28472 3/20 0.47
GABRP known ✓ O00591 2/20 0.47
GABRD known ✓ O14764 2/20 0.47
GABRB1 known ✓ P18505 2/20 0.47
GABRA4 known ✓ P48169 2/20 0.47
GABRE known ✓ P78334 2/20 0.47
GABRA6 known ✓ Q16445 2/20 0.47
GABRG1 known ✓ Q8N1C3 2/20 0.47
GABRG3 known ✓ Q99928 2/20 0.47
GABRQ known ✓ Q9UN88 2/20 0.47
OPRK1 P41145 4/20 0.57
PDE4D Q08499 3/20 0.57
CYP3A4 P08684 2/20 0.57
SLC22A1 O15245 1/20 0.57

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
Midazolam SCHEMBL6130042 0.90 OPRK1 (0.63) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL413785 0.83 OPRK1 (0.83) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Fumaric Acid SCHEMBL7312184 0.83 LMNA (0.55) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Maleic Acid SCHEMBL7312176 0.83 LMNA (0.55) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL8811703 0.83 OPRK1 (0.83) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Midazolam SCHEMBL147776 0.83 OPRK1 (0.83) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Maleic Acid SCHEMBL7303127 0.80 OPRK1 (0.52) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Fumaric Acid SCHEMBL7303133 0.80 OPRK1 (0.52) OPRK1PDE4DCYP3A4SLC22A1ABCB11
Flunitrazepam SCHEMBL8364961 0.79 GABRA1 (0.64) OPRK1PDE4DLMNAHPGDGABRA1
Alprazolam SCHEMBL3905590 0.77 GABRA1 (0.62) OPRK1PDE4DLMNAHPGDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168625-B2 Pharmaceutical composition based on agonist of benzodiazepine SIGMA PHARMA LTDA. (BR) 2012-05-01 US disclosed
EP-1633366-B1 PHARMACEUTICAL COMPOSITION BASED ON AGONIST OF BENZODIAZEPINE SIGMA PHARMA LTDA (BR) 2010-03-31 EP disclosed
EP-1633366-A4 PHARMACEUTICAL COMPOSITION BASED ON AGONIST OF BENZODIAZEPINE SIGMA PHARMA LTDA (BR) 2008-02-27 EP disclosed
US-20060134200-A1 Pharmaceutical composition based on agonist of benzodiazepine SIGMA PHARMA LTDA. (BR) 2006-06-22 US disclosed
EP-1633366-A1 PHARMACEUTICAL COMPOSITION BASED ON AGONIST OF BENZODIAZEPINE Sigma Pharma Ltda. (BR) 2006-03-15 EP disclosed
WO-2004105767-A1 PHARMACEUTICAL COMPOSITION BASED ON AGONIST OF BENZODIAZEPINE SIGMA PHARMA LTDA. (BR) 2004-12-09 WO disclosed