SCHEMBL6996450

SCHEMBL6996450

Cc1nc(-c2nnc3cc(C(C)(C)C)c(OCc4ncnn4C)nn23)no1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 19/20 0.67
GABRB3 P28472 19/20 0.67
GABRA3 P34903 19/20 0.67
GABRA1 P14867 11/20 0.67
GABRA2 P47869 8/20 0.62
GABRA5 P31644 5/20 0.62
GABRA4 P48169 1/20 0.47

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
SCHEMBL6997913 0.84 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2655528 0.84 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7006121 0.83 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6998720 0.82 GABRG2 (0.66) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2656891 0.82 GABRA1 (0.45) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7001266 0.82 GABRG2 (0.71) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657058 0.82 GABRG2 (0.44) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6996445 0.81 GABRG2 (0.44) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2658899 0.81 GABRG2 (0.44) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7002145 0.81 GABRG2 (0.64) GABRG2GABRB3GABRA3GABRA1GABRA2

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 3 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