SCHEMBL9182178

SCHEMBL9182178

c1ccc2c(c1)CC2CN1CCN(c2cccc3c2CCOO3)CC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38

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
SCHEMBL9465763 1.00 HTR2C (0.38) HTR2C
SCHEMBL9465608 0.91
SCHEMBL9174170 0.91
SCHEMBL1037294 0.89
SCHEMBL9178238 0.89
SCHEMBL9176453 0.87 DRD2 (0.45)
SCHEMBL9467335 0.87 DRD2 (0.45)
SCHEMBL9177231 0.86 DRD4 (0.46)
SCHEMBL9180749 0.86 DRD4 (0.46)
SCHEMBL9179387 0.85 SIGMAR1 (0.53) HTR2C

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-0490772-B1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR (FR) 1995-07-26 EP disclosed