SCHEMBL6994119

SCHEMBL6994119

Cn1ccc2c1C(=O)N(CCCN1CCN(c3ccc(F)cc3)CC1)CCC2O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HRH1 P35367 2/20 0.41
DRD3 P35462 2/20 0.41
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
HTR6 P50406 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6997494 0.90 HTR1A (0.47) DRD2DRD4HTR7HTR1AHTR2A
SCHEMBL7496420 0.84 LMNA (0.46) KDM4ELMNAMAPK1DRD2DRD4
SCHEMBL6622902 0.84 LMNA (0.46) KDM4ELMNAMAPK1DRD2DRD4
SCHEMBL6622904 0.84 LMNA (0.46) KDM4ELMNAMAPK1DRD2DRD4
SCHEMBL6774305 0.82 KDM4E (0.46) KDM4ELMNAMAPK1DRD2DRD4
SCHEMBL6769738 0.82 DRD2 (0.44) KDM4ELMNAMAPK1DRD2DRD4
SCHEMBL6773782 0.80 KDM4E (0.44) KDM4ELMNAMAPK1DRD2DRD4
SCHEMBL6653693 0.78 DRD2 (0.43) KDM4ELMNAMAPK1DRD2DRD4
SCHEMBL6995879 0.78 KDM4E (0.48) KDM4ELMNAMAPK1DRD2DRD4
SCHEMBL6774449 0.78 KDM4E (0.44) KDM4ELMNAMAPK1DRD2DRD4

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-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
EP-0557526-A1 PYRROLOAZEPINE COMPOUND SUNTORY LIMITED (JP) 1993-09-01 EP disclosed