SCHEMBL293011

SCHEMBL293011

[CH2]CCCC(C)C1CNCCN1CCC

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL11605375 0.80 TDP1 (0.45) TDP1TAAR1
SCHEMBL27282980 0.78 TDP1 (0.47) TDP1TAAR1
SCHEMBL510995 0.77 TDP1 (0.49) TDP1
SCHEMBL7285985 0.72 TDP1 (0.40) TDP1TAAR1
SCHEMBL27862434 0.72 TAAR1 (0.47) TAAR1
SCHEMBL7285992 0.72 TDP1 (0.40) TDP1TAAR1
SCHEMBL4487051 0.70 TDP1 (0.48) TDP1
SCHEMBL4630233 0.70 TAAR1 (0.41) TDP1TAAR1
SCHEMBL4487058 0.70 TDP1 (0.48) TDP1
SCHEMBL511996 0.69 TDP1 (0.34) TDP1

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-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed