SCHEMBL6987645

SCHEMBL6987645

CN1CCC(=NO)c2ccn(CCCCN3CCN(c4ccc(F)cc4)CC3)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
DRD4 P21917 2/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
HTR1A P08908 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
HTR7 P34969 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
SCHEMBL6987644 1.00 DRD2 (0.48) DRD2KDM4ELMNAMAPK1DRD4
SCHEMBL6992529 0.90 DRD2 (0.46) DRD2KDM4EDRD4HTR1AHTR2A
SCHEMBL6992521 0.90 DRD2 (0.46) DRD2KDM4EDRD4HTR1AHTR2A
SCHEMBL7140268 0.90 HTR1A (0.48) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL7140269 0.90 HTR1A (0.48) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL7143237 0.89 HTR1A (0.49) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL7143240 0.89 HTR1A (0.49) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL6987227 0.87 DRD2 (0.52) DRD2KDM4ELMNAMAPK1DRD4
SCHEMBL6988905 0.84 KCNH2 (0.52) DRD2DRD4HTR1AHTR2AHTR7
SCHEMBL6988896 0.84 KCNH2 (0.52) DRD2DRD4HTR1AHTR2AHTR7

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
EP-0551527-B1 PYRROLOAZEPINE DERIVATIVE SUNTORY LTD (JP) 2003-04-02 EP disclosed
US-5397780-A Antiserotonine, hypotensive, congestive heart failure SUNTORY LIMITED (JP) 1995-03-14 US disclosed
EP-0551527-A1 PYRROLOAZEPINE DERIVATIVE SUNTORY LIMITED (JP) 1993-07-21 EP disclosed