SCHEMBL9017189

SCHEMBL9017189

COc1ccc(Cl)cc1N1CCN(CC(O)CNC=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HTR7 P34969 3/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.47
HTR1A P08908 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
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
SCHEMBL9017194 0.87 RECQL (0.69) RECQLHTR3EHTR3BHTR3AHTR3D
SCHEMBL9017199 0.82 HTR3E (0.53) RECQLHTR3EHTR3BHTR3AHTR3D
SCHEMBL9570917 0.80 RECQL (0.54) RECQLHTR7LMNAMAPTHTR1A
SCHEMBL9017186 0.76 ADRA1D (0.73) RECQLUSP2LMNAHTR1ADRD2
SCHEMBL9195086 0.76 ADRA1D (0.63) RECQLUSP2LMNAHTR1ADRD2
Hydrochloric Acid SCHEMBL9586428 0.75 ADRA1D (0.72) RECQLHTR7USP2LMNAHTR1A
SCHEMBL8828619 0.73 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27405596 0.73 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9570977 0.73 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9199034 0.72 ADRA1A (0.62) LMNAHTR1ADRD2DRD4ADRA1D

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-0522915-B1 Pyrimidine-4-carboxamide derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1996-03-13 EP disclosed
US-5244901-A Multistage preparation by starting with a phenylpiperazine and an epoxide or chloro alcohol containing a phthalimido group; use to treat disorders involving hyperactivity of the alpha 1-adrenergic system SYNTHELABO (FR) 1993-09-14 US disclosed
EP-0522915-A1 Pyrimidine-4-carboxamide derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-13 EP disclosed