SCHEMBL7537729

SCHEMBL7537729

OC1Cc2cccc(I)c2CC1N1CCN(c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 9/20 0.60
HTR7 P34969 1/20 0.46
GRIN2B Q13224 1/20 0.43

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
SCHEMBL7537731 1.00 SLC18A3 (0.60) SLC18A3HTR7GRIN2B
SCHEMBL7537726 1.00 SLC18A3 (0.60) SLC18A3HTR7GRIN2B
SCHEMBL7541083 0.89 SLC18A3 (0.51) SLC18A3
SCHEMBL7541079 0.89 SLC18A3 (0.51) SLC18A3
SCHEMBL7541795 0.87 SLC18A3 (0.49) SLC18A3
SCHEMBL7541800 0.87 SLC18A3 (0.49) SLC18A3
SCHEMBL7539036 0.85 SLC18A3 (0.55) SLC18A3HTR7
SCHEMBL7539028 0.85 SLC18A3 (0.55) SLC18A3HTR7
SCHEMBL7543451 0.84 SLC18A3 (0.69) SLC18A3
SCHEMBL7543445 0.84 SLC18A3 (0.69) SLC18A3

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-1205473-A1 VESAMICOL PIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2002-05-15 EP disclosed