SCHEMBL9199004

SCHEMBL9199004

Fc1ccc(OCCN2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.60
▸ LTA4H P09960 1/20 0.58
▸ HTR1A P08908 4/20 0.52
▸ DRD2 P14416 4/20 0.52
▸ HTR2A P28223 4/20 0.52
▸ DRD3 P35462 4/20 0.52
▸ DRD1 P21728 3/20 0.52
▸ HRH1 P35367 2/20 0.52
▸ DRD5 P21918 2/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ HTR7 P34969 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ USP2 O75604 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50

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
SCHEMBL17197050 0.86 HRH3 (0.60) HRH3HTR2AHTR2BLMNAUSP2
SCHEMBL7132136 0.81 LTA4H (0.70) HRH3LTA4H
SCHEMBL1730306 0.81 LTA4H (0.77) HRH3LTA4HHTR1ADRD2HTR2A
SCHEMBL19560190 0.80 LTA4H (0.67) HRH3LTA4HHTR2AHTR2BLMNA
SCHEMBL13698800 0.80 USP2 (0.73) HRH3LTA4HHTR1ADRD2HTR2A
SCHEMBL5366151 0.80 KCNH2 (0.48) HRH3HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL1730768 0.79 USP2 (0.71) HRH3LTA4HHTR1ADRD2HTR2A
SCHEMBL13698801 0.77 LTA4H (0.87) HRH3LTA4HMEN1LMNAHTT
SCHEMBL19389962 0.77 LTA4H (0.57) HRH3LTA4HHTR1ADRD2HTR2A
SCHEMBL1728918 0.76 USP2 (0.78) HRH3LTA4HHTR1ADRD2HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520882-B1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1995-07-12 — — EP disclosed
US-5246939-A Antiadrenergic systems for lower urinary apparatus SYNTHELABO (FR) 1993-09-21 — — US disclosed
EP-0520882-A1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1992-12-30 — — EP disclosed
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