SCHEMBL7329697

SCHEMBL7329697

CCOC(=O)c1ncn2c1CN(C)C(=O)c1c(F)cccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.71
GABRG2 P18507 12/20 0.71
GABRB3 P28472 12/20 0.71
GABRA5 P31644 12/20 0.71
GABRA3 P34903 12/20 0.71
GABRA2 P47869 12/20 0.71
GABRA6 Q16445 8/20 0.66
GABRB2 P47870 7/20 0.66
GABRA4 P48169 3/20 0.66
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 1/20 0.66
GABRP O00591 1/20 0.66
GABRD O14764 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
TSHR P16473 1/20 0.66
GABRB1 P18505 1/20 0.66
CYP2C19 P33261 1/20 0.66
GABRE P78334 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL7334382 0.93 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10365966 0.89 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
Iomazenil SCHEMBL29385986 0.88 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
Iomazenil (123I) SCHEMBL29374678 0.88 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
Iomazenil SCHEMBL41658 0.88 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
Iomazenil (123I) SCHEMBL17022271 0.88 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9745968 0.88 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
Sarmazenil SCHEMBL195304 0.88 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7336925 0.87 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10627713 0.87 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316839-A Imidazodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 1982-02-23 US claimed
US-5270306-A Method of antagonizing excitatory amino acids by administration of imidazobenzodiazepine compounds NEUROSEARCH A/S (DK) 1993-12-14 US disclosed
EP-0451626-A2 The use of benzodiazepine compounds for preparing a pharmaceutical composition against CNS disorders related to the excitatory aminoacids NEUROSEARCH A/S (DK) 1991-10-16 EP disclosed
US-4363762-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-12-14 US disclosed
US-4359420-A HYPOTENSIVE AGENT, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1982-11-16 US disclosed
US-4346032-A ANTIDOTES TO OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346034-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346030-A ANTIDOTES FOR OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346035-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346031-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346036-A ALKYLATION; AMIDATION; TRANQUILIZER ANTAGONIST HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346033-A Thienodiazepinone and benzodiazepinone intermediates HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4316839-A Imidazodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 1982-02-23 US disclosed