SCHEMBL8326424

SCHEMBL8326424

COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.63
ADRA2A P08913 3/20 0.63
ADRA2B P18089 3/20 0.63
SIGMAR1 Q99720 1/20 0.63
HTR2C P28335 3/20 0.52
HTR2A P28223 1/20 0.51
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTR1A P08908 2/20 0.48
DRD3 P35462 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX12 P18054 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
KMT2A Q03164 1/20 0.48

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 0.85 DRD4 (0.46) DRD2ADRA2AADRA2BSIGMAR1HTR2A
SCHEMBL8323168 0.83 CYP3A4 (0.65) DRD2ADRA2AADRA2BSIGMAR1HTR2C
SCHEMBL8326693 0.83 HTR1A (0.50) DRD2ADRA2AADRA2BSIGMAR1HTR2A
SCHEMBL8321866 0.83 DRD2 (0.44) DRD2ADRA2AADRA2BSIGMAR1HTR1A
SCHEMBL8319492 0.80 DRD2 (0.78) DRD2ADRA2AADRA2BSIGMAR1HTR2C
SCHEMBL9414716 0.79 CYP3A4 (0.72) DRD2HTR2CHTR2ACYP3A4CYP1A2
SCHEMBL5674428 0.77 ADRA2A (1.00) DRD2ADRA2AADRA2BSIGMAR1HTR2C
SCHEMBL29468692 0.77 ADRA2A (1.00) DRD2ADRA2AADRA2BSIGMAR1HTR2C
SCHEMBL6593239 0.77 ADRA2A (1.00) DRD2ADRA2AADRA2BSIGMAR1HTR2C
SCHEMBL3400157 0.71 HTR1A (0.58) DRD2HTR2CHTR2ACYP3A4CYP1A2

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 5 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 claimed
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