SCHEMBL5068751

SCHEMBL5068751

O=C(O)N1N=CC=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 14/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SCN4A P35499 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
P2RX1 P51575 5/20 0.39
P2RX3 P56373 5/20 0.39
P2RX7 Q99572 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PTBP1 P26599 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL3100027 0.85 P2RX4 (0.54) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL2979170 0.85 P2RX4 (0.42) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL7334705 0.85 LMNA (0.51) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL5806375 0.81 LMNA (0.37) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL11741313 0.81 P2RX4 (0.43) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL15865153 0.81 LMNA (0.40) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL27285585 0.81 LMNA (0.40) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL7339446 0.78 LMNA (0.40) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL6994927 0.77 BCHE (0.43) P2RX4TSHRLMNAMAPK1SCN4A
SCHEMBL7333680 0.77 P2RX4 (0.40) P2RX4TSHRLMNAMAPK1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059386-B1 IMIDAZODIAZEPINES, INTERMEDIATE PRODUCTS AND PROCESS FOR THEIR PREPARATION, AND MEDICINES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-09-18 EP claimed
EP-1888594-A2 GABAERGIC AGENTS TO TREAT MEMORY DEFICITS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2008-02-20 EP disclosed
WO-2007018660-A2 GABAERGIC IMIDAZOBENZODIAZEPINE DERIVATIVES TO TREAT MEMORY DEFICITS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-02-15 WO disclosed
EP-1399444-A2 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS Aventis Pharma S.A. (FR) 2004-03-24 EP disclosed
WO-2002100860-A2 HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-12-19 WO disclosed
CN-1046519-C Oxazolyl-and thiazolylimidazo- and thienodiazepines and their use as medicaments HOFFMANN LA ROCHE (CH) 1999-11-17 CN disclosed
US-5962450-A SEDATIVE HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed
US-5885986-A CLEAVING, N-ALKYLATING AND REDUCING THE INTERMEDIATE FORMED BY REACTING AN OXAZOLYL AND THIAZOLYLIMIDAZOBENZO AND THIENODIAZEPINE DERIVATIVES WITH AMINE COMPOUNDS; USED AS ANXIOLYTIC AND ANTICONVULSANT OR SEDATIVE-HYPNOTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-03-23 US disclosed
CN-1036995-C Imidazodiazepine HOFFMANN LA ROCHE (CH) 1998-01-14 CN disclosed
CN-1167487-A Oxazolyl-and thiazolyl-imidazo-benzo-and thienodiazepine * and their use as pharmaceuticals HOFFMANN LA ROCHE (CH) 1997-12-10 CN disclosed
CN-1019492-B Process for preparing benzo-and thiazolo-imidazodiazepine * derivatives HOFFMANN LA ROCHE (CH) 1992-12-16 CN disclosed
EP-0100906-B1 TRI- AND TETRACYCLIC IMIDAZO(1,5-A)(1,4)BENZODIAZEPIN-1-CARBOXYLIC-ACID DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-05-13 EP disclosed
CN-85101490-A IMIDAZODIAZEPINE DERIVATIVES 1987-01-24 CN disclosed
EP-0197282-A1 Novel oxadiazolyl imidazobenzodiazepine derivatives and methods of preparing such compounds A/S FERROSAN (DK) 1986-10-15 EP disclosed
EP-0059386-B1 IMIDAZODIAZEPINES, INTERMEDIATE PRODUCTS AND PROCESS FOR THEIR PREPARATION, AND MEDICINES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-09-18 EP disclosed