SCHEMBL7962330

SCHEMBL7962330

Cc1cccnc1COc1nn2c(-c3cccnc3)nnc2cc1C1CCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.56
GABRG2 P18507 19/20 0.56
GABRB3 P28472 19/20 0.56
GABRA3 P34903 19/20 0.56
GABRA2 P47869 18/20 0.56
GABRA5 P31644 15/20 0.53
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7972248 0.83 GABRG2 (0.82) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7962331 0.79 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7973855 0.79 GABRG2 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7973849 0.78 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7978467 0.76 MEN1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL341937 0.75 GABRG2 (0.69) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL342590 0.73 GABRG2 (0.69) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL341430 0.73 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL220805 0.72 GABRG2 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6033234 0.72 GABRG2 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291460-B1 TREATMENT OF ANXIETY; TREATMENT AND/OR PREVENTION OF CONVULSIONS MERCK SHARP & DOHME LIMITED (GB) 2001-09-18 US claimed
US-6291460-B1 TREATMENT OF ANXIETY; TREATMENT AND/OR PREVENTION OF CONVULSIONS MERCK SHARP & DOHME LIMITED (GB) 2001-09-18 US disclosed
EP-1056748-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-12-06 EP disclosed
WO-1999037647-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed