SCHEMBL9044908

SCHEMBL9044908

[CH2]CCCc1c(CC)cccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
HTR1A P08908 1/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL9267903 0.89 GABRA1 (0.33) GABRA1GABRB2CA2
SCHEMBL9046662 0.86 CA2 (0.41) GABRA1GABRB2CA2
SCHEMBL199686 0.84 GABRA1 (0.43) GABRA1GABRB2TAAR1HTR1A
SCHEMBL9044072 0.81 GABRA1 (0.46) GABRA1GABRB2CA2NLRP3
SCHEMBL9048354 0.81 GABRA1 (0.36) GABRA1GABRB2CA2POLB
SCHEMBL9047350 0.79 GABRA1 (0.39) GABRA1GABRB2POLBTAAR1HTR1A
SCHEMBL11141250 0.79 CA2 (0.39) GABRA1GABRB2CA2
SCHEMBL11143792 0.79 CA2 (0.39) GABRA1GABRB2CA2
SCHEMBL9045727 0.78 CA2 (0.35) GABRA1GABRB2CA2TAAR1
SCHEMBL9046947 0.78 TAAR1 (0.37) GABRA1GABRB2CA2POLBTAAR1

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-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP claimed
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
EP-0664802-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 EP disclosed