SCHEMBL3764900

SCHEMBL3764900

CCc1c(C)c(C)c(C)c(N=C=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CYP3A4 P08684 1/20 0.33

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
SCHEMBL3764897 0.96 GABRA1 (0.47) GABRA1GABRB2CYP3A4
SCHEMBL10500897 0.87 GABRA1 (0.47) GABRA1GABRB2CYP3A4
SCHEMBL4540875 0.85 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL9250638 0.83 GABRA1 (0.44) GABRA1GABRB2CYP3A4
SCHEMBL7747680 0.82 CYP3A4 (0.44) GABRA1GABRB2CYP3A4
SCHEMBL1966049 0.81 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL11042791 0.80 GABRA1 (0.39) GABRA1GABRB2CYP3A4
SCHEMBL28344084 0.79 CYP3A4 (0.42) GABRA1GABRB2CYP3A4
SCHEMBL57779 0.79 CYP3A4 (0.46) GABRA1GABRB2CYP3A4
SCHEMBL475788 0.78 GABRA1 (0.47) GABRA1GABRB2CYP3A4

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
US-9169405-B2 Highly scratch-resistant coatings having good weathering and crack resistance BASF COATINGS GMBH (DE) 2015-10-27 US disclosed
US-20150056458-A1 HIGHLY SCRATCH-RESISTANT COATINGS HAVING GOOD WEATHERING AND CRACK RESISTANCE BASF COATINGS GMBH (DE) 2015-02-26 US disclosed
US-20100167033-A1 HIGHLY SCRATCH-RESISTANT COATINGS HAVING GOOD WEATHERING AND CRACK RESISTANCE BASF COATINGS AG (DE) 2010-07-01 US disclosed