SCHEMBL9800283

SCHEMBL9800283

C=CCC1(CC=C)CCCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
MMP9 P14780 1/20 0.30

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
SCHEMBL14378012 0.90 MMP9 (0.33) GRIN1GRIN2AMMP9
SCHEMBL21408162 0.88 MMP9 (0.32) MMP9
Tert-Butyl Formate SCHEMBL28026716 0.84 TDP1 (0.35) GRIN1GRIN2A
SCHEMBL6942322 0.83 LMNA (0.40) GRIN1GRIN2AHPGDPOLBMMP9
SCHEMBL14378048 0.83 LMNA (0.40) GRIN1GRIN2AHPGDPOLBMMP9
SCHEMBL14554863 0.83
SCHEMBL22007692 0.80
SCHEMBL14378055 0.79 ALDH1A1 (0.34)
SCHEMBL14378009 0.78 MMP9 (0.32) GRIN1GRIN2AMMP9
SCHEMBL14378098 0.78 GRIN1 (0.34) GRIN1GRIN2AMMP9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531715-B RSV antiviral pyrazolo-and triazolo-pyrimidine compounds 爱尔兰詹森科学公司 2021-03-30 CN disclosed
EP-3288942-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS Janssen Sciences Ireland UC (IE) 2018-03-07 EP disclosed
WO-2016174079-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-11-03 WO disclosed
WO-2015094803-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-06-25 WO disclosed
EP-0417143-A1 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1991-03-20 EP disclosed
WO-1989011856-A2 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1989-12-14 WO disclosed