SCHEMBL7464370

SCHEMBL7464370

O=Cc1cc2c3c(ccc2[nH]1)OCC(CN1CCC(CNC(=O)c2ccccn2)CC1)O3

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.46
DRD2 P14416 11/20 0.46
HTR2A P28223 8/20 0.46
HTR2C P28335 8/20 0.46
HTR2B P41595 8/20 0.46
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL7461438 0.89 HTR1A (0.56) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7463410 0.89 HTR1A (0.52) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7472103 0.88 HTR1A (0.54) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7469626 0.88 HTR1A (0.44) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7463528 0.87 HTR1A (0.51) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7470011 0.87 ADRA2A (0.48) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7467112 0.86 HTR1A (0.51) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7467130 0.86 HTR1A (0.51) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7470186 0.86 HTR1A (0.62) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7465933 0.85 ADRA1D (0.46) 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 6 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