SCHEMBL5877465

SCHEMBL5877465

COc1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)n(CC3CCCC(CN)C3)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F11 P03951 1/20 0.44
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ADRA1A P35348 1/20 0.42
GHSR Q92847 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGER4 P35408 1/20 0.40
ABCC1 P33527 1/20 0.40
CYP2D6 P10635 3/20 0.40
AVPR1B P47901 3/20 0.40
MAP3K11 Q16584 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
CRHR1 P34998 1/20 0.39

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
SCHEMBL5877323 0.92 SMN1; SMN2 (0.45) LMNASMN1; SMN2KCNH2GHSRABCC1
SCHEMBL5877568 0.91 F11 (0.46) F11KCNH2HRH3ADRA1AGHSR
SCHEMBL5876853 0.90 ABCC1 (0.44) LMNASMN1; SMN2KCNH2GHSRABCC1
SCHEMBL5876981 0.90 F11 (0.52) LMNAF11KCNH2HRH3ADRA1A
SCHEMBL5878058 0.89 SMN1; SMN2 (0.58) LMNASMN1; SMN2ABCC1CYP2D6MEN1
SCHEMBL5877978 0.89 AVPR1B (0.49) F11KCNH2HRH3ADRA1AGHSR
SCHEMBL5877807 0.89 F11 (0.47) F11KCNH2HRH3ADRA1AGHSR
SCHEMBL5877563 0.88 F11 (0.50) LMNASMN1; SMN2F11KCNH2HRH3
SCHEMBL5877069 0.87 F11 (0.49) F11KCNH2HRH3ADRA1AGHSR
SCHEMBL5877712 0.87 AVPR1B (0.51) F11GHSRAVPR1B

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
US-7060706-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
EP-1216233-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023364-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed