SCHEMBL8323168

SCHEMBL8323168

COc1ccccc1N1CCN(CC2CN=C3c4ccccc4N(C)C(=O)N32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
DRD2 P14416 4/20 0.64
ADRA2A P08913 2/20 0.64
ADRA2B P18089 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
HTR2C P28335 4/20 0.53
HTR2A P28223 2/20 0.52
ALDH1A1 P00352 2/20 0.49
DRD3 P35462 1/20 0.49
MEN1 O00255 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX12 P18054 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8322045 0.87 DRD2 (0.48) CYP3A4CYP1A2CYP2C9DRD2ADRA2A
SCHEMBL8324224 0.85 HTR1A (0.49) CYP3A4CYP1A2CYP2C9DRD2ADRA2A
SCHEMBL8326424 0.83 DRD2 (0.63) CYP3A4CYP1A2CYP2C9DRD2ADRA2A
SCHEMBL8319492 0.80 DRD2 (0.78) CYP3A4CYP1A2CYP2C9DRD2ADRA2A
SCHEMBL29468692 0.78 ADRA2A (1.00) CYP3A4CYP1A2CYP2C9DRD2ADRA2A
SCHEMBL5674428 0.78 ADRA2A (1.00) CYP3A4CYP1A2CYP2C9DRD2ADRA2A
SCHEMBL6593239 0.78 ADRA2A (1.00) CYP3A4CYP1A2CYP2C9DRD2ADRA2A
SCHEMBL8324313 0.71 DRD2 (0.64) DRD2ADRA2AADRA2BSIGMAR1HTR7
SCHEMBL7238114 0.68 HTR2C (1.00) DRD2SIGMAR1HTR2CHTR2ADRD3
Hydrochloric Acid SCHEMBL11637948 0.68 HTR2C (0.78) DRD2HTR2CHTR2ADRD3HTR7

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