SCHEMBL9017199

SCHEMBL9017199

COc1ccc(Cl)cc1N1CCN(CC(O)CN)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
DRD2 P14416 2/20 0.50
DRD4 P21917 1/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 4/20 0.49
HTR7 P34969 3/20 0.49
HTR1A P08908 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46

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 0.86 RECQL (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9570977 0.85 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8483868 0.82 RECQL (0.71) DRD2RECQLMAPTHTR7HTR1A
SCHEMBL8484076 0.82 RECQL (0.71) DRD2RECQLMAPTHTR7HTR1A
SCHEMBL8483863 0.82 RECQL (0.71) DRD2RECQLMAPTHTR7HTR1A
SCHEMBL9017189 0.82 RECQL (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7410473 0.81 ALDH1A1 (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27360940 0.79 MAPT (0.51) MAPTHTR7MEN1KMT2A
SCHEMBL9570917 0.79 RECQL (0.54) DRD2DRD4RECQLMAPTHTR7
SCHEMBL8828619 0.79 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C

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