SCHEMBL7470925

SCHEMBL7470925

Nc1ncccc1C(=O)NCC1CCN(CC2COc3ccc4[nH]c(C(=O)O)cc4c3O2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.52
DRD2 P14416 11/20 0.52
HTR2A P28223 8/20 0.49
HTR2C P28335 8/20 0.49
HTR2B P41595 8/20 0.49
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ADRA2C P18825 5/20 0.40
ADRA2A P08913 4/20 0.40
ADRA2B P18089 4/20 0.40

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
SCHEMBL7467079 0.94 HTR1A (0.53) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7461378 0.94 HTR1A (0.51) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7468678 0.92 HTR1A (0.49) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7463385 0.91 HTR1A (0.60) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7469626 0.90 HTR1A (0.44) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7461060 0.89 HTR1A (0.51) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7469846 0.87 HTR1A (0.48) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7467649 0.87 HTR1A (0.48) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7466182 0.86 ADRA1D (0.42) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7475056 0.86 HTR1A (0.54) HTR1ADRD2HTR2AHTR2CHTR2B

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-0876372-B1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL GMBH (DE) 2002-03-06 EP claimed