SCHEMBL9414729

SCHEMBL9414729

COc1cc2c(cc1OC)C1=NC(CN3CCN(c4ccccc4)CC3)CN1C(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
DRD2 P14416 6/20 0.47
DRD4 P21917 6/20 0.47
DRD3 P35462 6/20 0.47
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2A P28223 1/20 0.41

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
SCHEMBL9414681 0.84 DRD2 (0.51) CYP1A2CYP3A4CYP2C9DRD2DRD4
SCHEMBL9414716 0.80 CYP3A4 (0.72) CYP1A2CYP3A4CYP2C9DRD2DRD3
SCHEMBL9414743 0.77 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9
SCHEMBL9681347 0.74 ACHE (0.38)
SCHEMBL9414827 0.73 DRD2 (0.46) CYP1A2CYP3A4CYP2C9DRD2DRD4
SCHEMBL9414888 0.72 CYP1A2 (0.75) CYP1A2CYP3A4CYP2C9DRD2DRD4
SCHEMBL9414742 0.71 HTR2C (0.51) CYP1A2CYP3A4CYP2C9DRD2DRD4
SCHEMBL9414685 0.71 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9DRD2DRD4
SCHEMBL3750412 0.71 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9
SCHEMBL12648468 0.69 CYP3A4 (1.00) CYP1A2CYP3A4CYP2C9DRD2DRD3

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-0594877-A1 Imidazo(1,2-c)quinazoline derivates as antihyper tensives and anti dysurics NATIONAL SCIENCE COUNCIL (TW) 1994-05-04 EP claimed
US-5158953-A 2-substituted methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (thiones), the preparation and use thereof NATIONAL SCIENCE COUNCIL (TW) 1992-10-27 US claimed
EP-0594877-A1 Imidazo(1,2-c)quinazoline derivates as antihyper tensives and anti dysurics NATIONAL SCIENCE COUNCIL (TW) 1994-05-04 EP disclosed
US-5158953-A 2-substituted methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (thiones), the preparation and use thereof NATIONAL SCIENCE COUNCIL (TW) 1992-10-27 US disclosed