SCHEMBL7784873

SCHEMBL7784873

O=c1ccc2cc(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(O)cc2o1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.55
DRD2 P14416 8/20 0.54

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
SCHEMBL5206035 0.90 HTR1A (0.56) HTR1ADRD2
SCHEMBL5203295 0.90 HTR1A (0.58) HTR1A
SCHEMBL7784855 0.89 DRD2 (0.53) HTR1ADRD2
SCHEMBL7784870 0.89 DRD2 (0.53) HTR1ADRD2
SCHEMBL5200827 0.88 HTR1A (0.59) HTR1ADRD2
SCHEMBL7787370 0.85 HTR1A (0.64) HTR1ADRD2
SCHEMBL7787397 0.83 HTR1A (0.59) HTR1ADRD2
SCHEMBL7780289 0.80 HTR1A (0.45) HTR1ADRD2
SCHEMBL7788881 0.80 HTR1A (0.51) HTR1A
SCHEMBL7784876 0.79 HTR1A (0.43) HTR1A

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
US-6251908-B1 Piperazine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-06-26 US disclosed