SCHEMBL6989849

SCHEMBL6989849

Cn1ccc2c1C(=O)N(CCCN1CCN(c3ccc(F)cc3)CC1)CC/C2=N/O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
DRD3 P35462 4/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
PARP1 P09874 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
SCHEMBL6989852 1.00 KDM4E (0.47) KDM4ELMNAMAPK1DRD3DRD2
SCHEMBL6768552 0.92 KDM4E (0.47) KDM4ELMNAMAPK1DRD3DRD2
SCHEMBL6768554 0.92 KDM4E (0.47) KDM4ELMNAMAPK1DRD3DRD2
SCHEMBL6992602 0.90 HTR1A (0.48) DRD3DRD2DRD4
SCHEMBL6992608 0.90 HTR1A (0.48) DRD3DRD2DRD4
SCHEMBL6993246 0.90 KDM4E (0.45) KDM4ELMNAMAPK1DRD3DRD2
SCHEMBL6993251 0.90 KDM4E (0.45) KDM4ELMNAMAPK1DRD3DRD2
SCHEMBL6994634 0.89 DRD3 (0.59) DRD3DRD2DRD4
SCHEMBL6994638 0.89 DRD3 (0.59) DRD3DRD2DRD4
SCHEMBL6989077 0.88 HTR1A (0.49) DRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557526-B1 PYRROLOAZEPINE COMPOUND SUNTORY LTD (JP) 2003-04-02 EP disclosed
US-5399557-A Cardiovascular disorders SUNTORY LIMITED (JP) 1995-03-21 US disclosed