SCHEMBL6130213

SCHEMBL6130213

COc1ccccc1N1CCN(CCNc2nc(C)c(C(C)=O)c(C)n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.69
ADRA1A P35348 5/20 0.69
ADRA1D P25100 3/20 0.69
ADRA1B P35368 3/20 0.69
DRD2 P14416 7/20 0.60
DRD4 P21917 1/20 0.60
HTR2A P28223 3/20 0.59
HTR7 P34969 3/20 0.59
HTR6 P50406 3/20 0.59
ADRA2A P08913 1/20 0.56

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
Hydrochloric Acid SCHEMBL5849269 0.99 HTR1A (0.68) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9760084 0.92 HTR1A (0.61) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9760311 0.89 HTR1A (0.58) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9759010 0.85 HTR1A (0.64) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9760092 0.84 HTR1A (0.62) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9760094 0.83 DRD2 (0.67) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL8332830 0.83 HTR1A (0.66) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9769531 0.82 HTR1A (0.60) HTR1AADRA1AADRA1DADRA1BDRD2
Hydrochloric Acid SCHEMBL6618184 0.82 DRD2 (0.66) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9760272 0.79 DRD2 (0.67) HTR1AADRA1AADRA1DADRA1BDRD2

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
JP-3090027-A None JP disclosed
EP-1334723-A4 SUSTAINED-RELEASE PREPARATION CONTAINING 5-ACETYL-4,6-DIMETHYL-2- 2- 4-(2-METHOXYPHENYL)PIPERAZINYL]ETHYLAMINO]PYRIMIDINE TRIHYDROCHLORIDE AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
EP-1334723-A4 SUSTAINED-RELEASE PREPARATION CONTAINING 5-ACETYL-4,6-DIMETHYL-2- 2- 4-(2-METHOXYPHENYL)PIPERAZINYL]ETHYLAMINO]PYRIMIDINE TRIHYDROCHLORIDE AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
EP-1334723-A1 SUSTAINED-RELEASE PREPARATION CONTAINING 5-ACETYL-4,6-DIMETHYL-2- 2- 4-(2-METHOXYPHENYL)PIPERAZINYL]ETHYLAMINO]PYRIMIDINE TRIHYDROCHLORIDE AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-08-13 EP disclosed
WO-2002034268-A1 SUSTAINED-RELEASE PREPARATION CONTAINING 5-ACETYL-4,6-DIMETHYL-2-[2-[4-(2-METHOXYPHENYL)PIPERAZINYL]ETHYLAMINO]PYRIMIDINE TRIHYDROCHLORIDE AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-02 WO disclosed
WO-2002034268-A1 SUSTAINED-RELEASE PREPARATION CONTAINING 5-ACETYL-4,6-DIMETHYL-2-[2-[4-(2-METHOXYPHENYL)PIPERAZINYL]ETHYLAMINO]PYRIMIDINE TRIHYDROCHLORIDE AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-02 WO disclosed
US-5075308-A Method for treating urinary obstruction HITACHI CHEMICAL CO., LTD. (JP) 1991-12-24 US disclosed
JP-H0390027-A DYSURIA REMEDY HITACHI CHEM CO LTD 1991-04-16 JP disclosed