SCHEMBL8319263

SCHEMBL8319263

COc1cc2c(cc1OC)C1=NCC(CN3CCN(c4ccccc4)CC3)N1C(SC)=N2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.68
ADRA2A P08913 2/20 0.68
ADRA2B P18089 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
DRD4 P21917 5/20 0.40
DRD3 P35462 5/20 0.40
HTR7 P34969 2/20 0.40
HTR1A P08908 1/20 0.40
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38

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
SCHEMBL8320289 0.86 DRD2 (0.73) DRD2ADRA2AADRA2BSIGMAR1KDM4E
SCHEMBL8325505 0.83 DRD2 (0.74) DRD2ADRA2AADRA2BSIGMAR1MAPT
SCHEMBL5674428 0.81 ADRA2A (1.00) DRD2ADRA2AADRA2BSIGMAR1MAPT
SCHEMBL6593239 0.81 ADRA2A (1.00) DRD2ADRA2AADRA2BSIGMAR1MAPT
SCHEMBL29468692 0.81 ADRA2A (1.00) DRD2ADRA2AADRA2BSIGMAR1MAPT
SCHEMBL8321133 0.76 DRD2 (0.59) DRD2ADRA2AADRA2BSIGMAR1DRD4
SCHEMBL8326105 0.74 DRD2 (0.78) DRD2ADRA2AADRA2BSIGMAR1KDM4E
SCHEMBL8326374 0.70 DRD2 (0.55) DRD2ADRA2AADRA2BSIGMAR1KDM4E
SCHEMBL8320719 0.70 DRD2 (0.57) DRD2ADRA2AADRA2BSIGMAR1DRD4
SCHEMBL28403763 0.69 DRD2 (0.55) DRD2ADRA2AADRA2BSIGMAR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594883-A1 Imidazo(1,2-c) quinazoline derivatives as antihypertensives and anti dysurics NATIONAL SCIENCE COUNCIL (TW) 1994-05-04 EP claimed
EP-0594883-B1 Imidazo(1,2-c) quinazoline derivatives as antihypertensives and anti dysurics NAT SCIENCE COUNCIL (TW) 1999-01-27 EP disclosed
US-5340814-A Hypotensive agents NATIONAL SCIENCE COUNCIL (TW) 1994-08-23 US disclosed
EP-0594883-A1 Imidazo(1,2-c) quinazoline derivatives as antihypertensives and anti dysurics NATIONAL SCIENCE COUNCIL (TW) 1994-05-04 EP disclosed