SCHEMBL9045166

SCHEMBL9045166

C[CH]CCCc1c(Br)cccc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CA2 P00918 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
SCHEMBL9057272 0.88 CA2 (0.39) GABRA1GABRB2CA2
SCHEMBL9047077 0.83 GABRA1 (0.43) GABRA1GABRB2CA2
SCHEMBL9046228 0.81 GABRA1 (0.33) GABRA1GABRB2CA2
SCHEMBL9047171 0.81 TAAR1 (0.35) GABRA1GABRB2CA2
SCHEMBL9046312 0.80 CA2 (0.35) GABRA1GABRB2CA2
SCHEMBL9044851 0.80 ALDH1A1 (0.40)
SCHEMBL9048354 0.79 GABRA1 (0.36) GABRA1GABRB2CA2
SCHEMBL9058555 0.78 GABRA1 (0.40) GABRA1GABRB2CA2
SCHEMBL9049966 0.78 GABRA1 (0.32) GABRA1GABRB2CA2
SCHEMBL9047068 0.78 HTR1A (0.36) GABRA1GABRB2CA2

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-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed