SCHEMBL7475366

SCHEMBL7475366

NC(=O)c1cc2c3c(ccc2[nH]1)OCC(CN1CCC(CNC(=O)c2cccnc2)CC1)O3

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.54
DRD2 P14416 10/20 0.54
HTR2A P28223 7/20 0.51
HTR2C P28335 7/20 0.51
HTR2B P41595 7/20 0.51
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CACNA1I Q9P0X4 1/20 0.41
GSK3B P49841 2/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL7475056 0.93 HTR1A (0.54) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7460328 0.93 HTR1A (0.52) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7462752 0.91 HTR1A (0.51) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7471249 0.89 HTR1A (0.62) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7470011 0.89 ADRA2A (0.48) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7465125 0.88 HTR1A (0.52) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7467079 0.87 HTR1A (0.53) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7461438 0.87 HTR1A (0.56) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL8557296 0.86 ADRA2A (0.50) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7468004 0.86 ADRA2A (0.52) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876372-B1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL GMBH (DE) 2002-03-06 EP claimed
US-6107310-A PSYCHOLOGICAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2000-08-22 US claimed
EP-0876372-A1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1998-11-11 EP claimed
WO-1997023485-A1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1997-07-03 WO claimed
EP-0876372-B1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL GMBH (DE) 2002-03-06 EP disclosed
US-6107310-A PSYCHOLOGICAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
EP-0876372-A1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
WO-1997023485-A1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1997-07-03 WO disclosed