SCHEMBL1776997

SCHEMBL1776997

Cc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NCC(F)(F)F)nn1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 17/20 0.74
ENPP2 Q13822 1/20 0.67
GABRA1 P14867 2/20 0.53

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
SCHEMBL1777038 0.90 ENPP2 (0.73) GABRA5ENPP2GABRA1
SCHEMBL1778260 0.89 GABRA5 (0.73) GABRA5ENPP2GABRA1
SCHEMBL1776578 0.87 ENPP2 (0.66) GABRA5ENPP2GABRA1
SCHEMBL2922020 0.86 ENPP2 (0.67) GABRA5ENPP2
SCHEMBL2931408 0.85 GABRA5 (1.00) GABRA5
SCHEMBL1778361 0.84 GABRA5 (0.77) GABRA5ENPP2GABRA1
SCHEMBL1775811 0.84 GABRA5 (0.66) GABRA5ENPP2
SCHEMBL1776634 0.83 GABRA5 (0.77) GABRA5GABRA1
SCHEMBL14894754 0.80 ENPP2 (1.00) GABRA5ENPP2
SCHEMBL1777214 0.78 GABRA5 (0.60) GABRA5ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 US claimed
US-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 US disclosed