SCHEMBL8326374

SCHEMBL8326374

COC1=Nc2ccccc2C2=NCC(CN3CCN(c4cccc(OC)c4)CC3)N12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
ADRA2A P08913 2/20 0.55
ADRA2B P18089 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
DRD4 P21917 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.45
KCNH2 Q12809 1/20 0.44
HTR1A P08908 4/20 0.44
DRD1 P21728 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL8321133 0.91 DRD2 (0.59) DRD2ADRA2AADRA2BSIGMAR1DRD4
SCHEMBL8320719 0.90 DRD2 (0.57) DRD2ADRA2AADRA2BSIGMAR1DRD4
SCHEMBL8321611 0.88 DRD2 (0.72) DRD2ADRA2AADRA2BSIGMAR1DRD4
SCHEMBL8319492 0.83 DRD2 (0.78) DRD2ADRA2AADRA2BSIGMAR1DRD4
SCHEMBL8326693 0.80 HTR1A (0.50) DRD2ADRA2AADRA2BSIGMAR1DRD4
SCHEMBL8324224 0.80 HTR1A (0.49) DRD2ADRA2AADRA2BSIGMAR1KCNH2
SCHEMBL8325505 0.79 DRD2 (0.74) DRD2ADRA2AADRA2BSIGMAR1DRD4
SCHEMBL8320289 0.75 DRD2 (0.73) DRD2ADRA2AADRA2BSIGMAR1DRD4
SCHEMBL5674428 0.71 ADRA2A (1.00) DRD2ADRA2AADRA2BSIGMAR1
SCHEMBL6593239 0.71 ADRA2A (1.00) DRD2ADRA2AADRA2BSIGMAR1

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-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