SCHEMBL9077933

SCHEMBL9077933

CC(C)(C)NC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL9077768 0.85 GABRA1 (0.60)
SCHEMBL9077866 0.84
SCHEMBL8998552 0.82
SCHEMBL9075575 0.81 GABRA1 (0.58)
SCHEMBL9077648 0.81 GABRA1 (0.54)
SCHEMBL9076885 0.79
SCHEMBL9078343 0.78
SCHEMBL9076611 0.78
SCHEMBL9075243 0.78 GABRA1 (0.49)
SCHEMBL9077683 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541324-A Imidazo[1,5-A]quinoxalines THE UPJOHN COMPANY (US) 1996-07-30 US claimed
EP-0714394-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1996-06-05 EP claimed
EP-0687266-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-12-20 EP claimed
WO-1995005379-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1995-02-23 WO claimed
WO-1994020496-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-09-15 WO claimed
EP-0590022-A1 IMIDAZO 1,5-a]QUINOXALINES PHARMACIA &amp; UPJOHN COMPANY (US) 1994-04-06 EP claimed
WO-1992022552-A1 IMIDAZO[1,5-a]QUINOXALINES THE UPJOHN COMPANY (US) 1992-12-23 WO claimed
EP-0590022-A1 IMIDAZO 1,5-a]QUINOXALINES PHARMACIA &amp; UPJOHN COMPANY (US) 1994-04-06 EP disclosed