SCHEMBL8326693

SCHEMBL8326693

COc1cccc(N2CCN(CC3CN=C4c5ccccc5NC(=O)N43)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.50
HTR7 P34969 4/20 0.50
DRD2 P14416 4/20 0.46
DRD4 P21917 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.45
HTR2A P28223 2/20 0.44
HTR6 P50406 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL8325164 0.91 DRD4 (0.46) HTR1AHTR7DRD2DRD4KDM4E
SCHEMBL8321866 0.87 DRD2 (0.44) HTR1AHTR7DRD2DRD4ADRA2A
SCHEMBL8326424 0.83 DRD2 (0.63) HTR1AHTR7DRD2KDM4EHTR2A
SCHEMBL8324224 0.83 HTR1A (0.49) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL8326374 0.80 DRD2 (0.55) HTR1ADRD2DRD4KDM4EGFER
SCHEMBL8321611 0.78 DRD2 (0.72) HTR1ADRD2DRD4KDM4EGFER
SCHEMBL8321133 0.71 DRD2 (0.59) HTR1ADRD2DRD4ADRA2AADRA2B
SCHEMBL8320719 0.70 DRD2 (0.57) DRD2DRD4ADRA2AADRA2BSIGMAR1
SCHEMBL8325505 0.69 DRD2 (0.74) DRD2DRD4ADRA2AADRA2BSIGMAR1
SCHEMBL30502286 0.68 DRD2 (0.62) HTR1AHTR7DRD2DRD4KDM4E

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