SCHEMBL7479693

SCHEMBL7479693

O=[N+]([O-])c1cccc2[nH]c(CN3CCOCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
DRD4 P21917 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
LMNA P02545 2/20 0.43
KCNJ1 P48048 1/20 0.43
PARP1 P09874 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CXCR4 P61073 1/20 0.43
CYP2C9 P11712 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
SCHEMBL7473327 0.89 DRD4 (0.57) HPGDDRD4L3MBTL1ALDH1A1HSD17B10
SCHEMBL7476376 0.88 DRD4 (0.56) HPGDDRD4L3MBTL1ALDH1A1HSD17B10
SCHEMBL7470721 0.86 DRD4 (0.56) DRD4PKN1PKN2PARP1ADORA3
SCHEMBL312048 0.79 TP53 (0.53) HPGDALDH1A1MAPTPKN1PKN2
SCHEMBL6604643 0.79 HPGD (0.63) HPGDDRD4L3MBTL1ALDH1A1HSD17B10
SCHEMBL6995989 0.78 PKN1 (0.57) HPGDDRD4ALDH1A1HSD17B10MAPT
SCHEMBL7484755 0.77 HPGD (0.57) HPGDDRD4L3MBTL1ALDH1A1HSD17B10
SCHEMBL7484204 0.75 DRD4 (0.45) DRD4ALDH1A1MAPTPKN1PKN2
SCHEMBL4888425 0.75 PKN1 (0.55) HPGDDRD4ALDH1A1HSD17B10MAPT
SCHEMBL3947018 0.75 PKN1 (0.55) DRD4ALDH1A1MAPTKDM4EPKN1

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
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed