SCHEMBL7150443

SCHEMBL7150443

O=C(CCCN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.51
KMT2A Q03164 3/20 0.50
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
DRD2 P14416 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
HTR2A P28223 1/20 0.45
MEN1 O00255 2/20 0.43

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
SCHEMBL7035461 0.74 MEN1 (0.71) KMT2AMEN1
SCHEMBL7025618 0.74 PDE3B (0.62) PARP1KMT2AMEN1
SCHEMBL17549668 0.71 KMT2A (0.84) KMT2AHRH2HRH1DRD2SIGMAR1
SCHEMBL17444609 0.70 PARP1 (0.64) PARP1KMT2ASIGMAR1MEN1
SCHEMBL9759896 0.70 CA12 (0.51) PARP1KMT2AMEN1
Hydrochloric Acid SCHEMBL11042668 0.70 HTR2A (0.58) KMT2AHRH2HRH1DRD2SIGMAR1
SCHEMBL11745824 0.70 KMT2A (0.54) KMT2A
SCHEMBL9824610 0.70 KMT2A (0.61) KMT2AHRH2HRH1DRD2HTR2A
SCHEMBL18770805 0.69 DRD2 (0.82) KMT2ADRD2SIGMAR1HTR2AMEN1
SCHEMBL8527407 0.69 NPC1 (0.44) KMT2AHRH1DRD2HTR2AMEN1

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-0775697-B1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL CO (JP) 2003-02-12 EP disclosed
US-5994542-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-30 US disclosed
EP-0878468-A1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-18 EP disclosed
US-5756738-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-26 US disclosed
EP-0775697-A1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-05-28 EP disclosed