SCHEMBL10700252

SCHEMBL10700252

C1=CC2(COc3ccccc3)CCC1C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
KCNA3 P22001 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL17912773 0.85 KCNA3 (0.39) KCNA3HTR1AADRA1DADRA1AADRA1B
SCHEMBL9722061 0.76
SCHEMBL443563 0.76 MAOA (0.40) ALDH1A1
SCHEMBL15063657 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9318072 0.71
SCHEMBL20362170 0.70 OPRM1 (0.36)
SCHEMBL7120876 0.69
SCHEMBL15254049 0.69
SCHEMBL10613859 0.66
SCHEMBL9154631 0.66

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-0283719-A2 Metathesis polymerized cross-linked halogen-containing copolymer HERCULES INCORPORATED (US) 1988-09-28 EP disclosed