SCHEMBL9048337

SCHEMBL9048337

C[CH]CCCc1c(Br)cccc1CC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.42
GABRB2 P47870 3/20 0.42
GPR52 Q9Y2T5 1/20 0.35
TSHR P16473 2/20 0.33
TAAR1 Q96RJ0 5/20 0.33
HTR1A P08908 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
BLM P54132 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
SCHEMBL9046560 0.88 GABRA1 (0.40) GABRA1GABRB2TSHRTAAR1HTR1A
SCHEMBL9050695 0.83 GABRA1 (0.36) GABRA1GABRB2GPR52TAAR1HTR1A
SCHEMBL9044851 0.81 ALDH1A1 (0.40) GPR52ALDH1A1
SCHEMBL9046020 0.80 TAAR1 (0.36) GABRA1GABRB2TAAR1HTR1A
SCHEMBL9045988 0.80 GABRA1 (0.34) GABRA1GABRB2TSHRTAAR1HTR1A
SCHEMBL9045061 0.79 GABRA1 (0.45) GABRA1GABRB2TSHRTAAR1HTR1A
SCHEMBL19289793 0.78 GABRA1 (0.52) GABRA1GABRB2TSHRTAAR1HTR1A
SCHEMBL9044815 0.78 TAAR1 (0.37) TAAR1ALDH1A1LMNA
SCHEMBL9046829 0.78 EED (0.40) TAAR1ALDH1A1
SCHEMBL9048354 0.78 GABRA1 (0.36) GABRA1GABRB2

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