SCHEMBL2657058

SCHEMBL2657058

Cc1nc(-c2nnc3cc(C(C)(C)C)c(OCc4ncn(C)n4)nn23)no1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.44
GABRB3 P28472 7/20 0.44
GABRA1 P14867 6/20 0.44
GABRA3 P34903 6/20 0.44
GABRA5 P31644 5/20 0.41
GABRA2 P47869 5/20 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
SCHEMBL7000097 0.90 GABRG2 (0.42) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7003984 0.84 GABRA1 (0.44) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL2658899 0.84 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL2659091 0.83 GABRA1 (0.45) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL2655468 0.83 GABRA1 (0.45) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL2656891 0.83 GABRA1 (0.45) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL2657663 0.82 GABRA1 (0.44) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL6996450 0.82 GABRG2 (0.67) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7002125 0.82 GABRA1 (0.47) GABRG2GABRB3GABRA1GABRA3GABRA5
SCHEMBL7003393 0.81 GABRG2 (0.36) GABRG2GABRB3GABRA1GABRA3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP claimed
EP-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP disclosed
US-6297235-B1 ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2001-10-02 US disclosed
EP-1107967-A2 TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION MERCK SHARP & DOHME LTD. (GB) 2001-06-20 EP disclosed
WO-2000012505-A2 TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2000-03-09 WO disclosed