SCHEMBL6964416

SCHEMBL6964416

O=C1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2N1CCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 3/20 0.50
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
AVPR2 P30518 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 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
SCHEMBL6967996 0.85 AVPR2 (0.47) DRD2DRD4DRD3ADRA1AHRH3
SCHEMBL6969043 0.83 DRD3 (0.47) DRD2DRD4DRD3ADRA1ATDP1
SCHEMBL6972375 0.81 KDM4E (0.43) DRD2DRD3ADRA1ATDP1KDM4E
SCHEMBL6971119 0.76 DRD2 (0.46) DRD2DRD4DRD3GRIN1GRIN2B
SCHEMBL6960079 0.75 ALDH1A1 (0.48) DRD2DRD4DRD3GRIN1GRIN2B
SCHEMBL6958687 0.75 DRD3 (0.46) DRD2DRD4DRD3GRIN1GRIN2B
SCHEMBL6959376 0.74 HDAC1 (0.46) TDP1ALDH1A1HPGDL3MBTL1HTR1A
SCHEMBL6968459 0.74 BCHE (0.56) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL6955542 0.73 ALDH1A1 (0.43) DRD2DRD4DRD3TDP1KDM4E
SCHEMBL6969761 0.72 L3MBTL1 (0.43) DRD2DRD4DRD3GRIN1GRIN2B

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed