SCHEMBL7052172

SCHEMBL7052172

CCCc1cc2c(N3CCN(C(CCC=O)On4nnc5ccccc54)C[C@@H]3C)nc(C)nc2s1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 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
SCHEMBL7047712 0.84 HTT (0.39)
SCHEMBL7051711 0.84 HTT (0.39)
SCHEMBL7053983 0.84 HTR6 (0.47) HTR6
SCHEMBL7051730 0.79 P2RY12 (0.38) HTR6
SCHEMBL7050895 0.77 HTR6 (0.38) HTR6
SCHEMBL7049301 0.77 HTT (0.38)
SCHEMBL5849276 0.77 CHRM1 (0.38)
SCHEMBL7049314 0.76 HTT (0.39)
SCHEMBL7050548 0.76 P2RY12 (0.39) HTR6
SCHEMBL7051550 0.76 P2RY12 (0.39) HTR6

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
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed