SCHEMBL13818593

SCHEMBL13818593

C=C/C=C(\C=C/N)c1ccccc1CC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CLCN2 P51788 1/20 0.32
F2R P25116 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CYP3A4 P08684 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
SCHEMBL15762046 0.79 MAOA (0.37) ALDH1A1CYP3A4
SCHEMBL22330531 0.78 GABRA1 (0.32) GABRA1GABRB2CLCN2F2RCYP3A4
SCHEMBL17149441 0.71 SMN1; SMN2 (0.42) ALDH1A1MAPT
SCHEMBL14385795 0.71 MAPT (0.32) CLCN2ALDH1A1GAAMAPT
SCHEMBL21670064 0.69 GABRA1 (0.35) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL27308001 0.69
SCHEMBL13818687 0.68 CLCN2 (0.34) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL6546236 0.67 GABRA1 (0.48) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL536538 0.67 GABRA1 (0.40) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL24288159 0.67 GABRA1 (0.33) GABRA1GABRB2CLCN2F2RGAA

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-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 EP disclosed