SCHEMBL7003232

SCHEMBL7003232

CCOc1cc(-c2nnc3c(OC)c(C4=CC=C4)c(-c4nccn4Cc4ccccc4)nn23)no1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.34
GABRG2 P18507 10/20 0.34
GABRB3 P28472 10/20 0.34
GABRA5 P31644 10/20 0.34
GABRA3 P34903 10/20 0.34
GABRA2 P47869 10/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
HSD17B10 Q99714 1/20 0.32
CACNA2D1 P54289 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
BRD4 O60885 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL7002875 0.92 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7005019 0.91 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7003546 0.86 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6996242 0.76 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2658324 0.74 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7003553 0.71 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7003556 0.67 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2658323 0.65 GABRG2 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7004347 0.64 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7420939 0.63 GABRA1 (0.79) 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 1 patent. 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