SCHEMBL6970758

SCHEMBL6970758

O=C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
STAT3 P40763 1/20 0.44
AVPR2 P30518 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
HTT P42858 2/20 0.41
NAMPT P43490 2/20 0.41
HTR2C P28335 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL6955289 0.86 STAT3 (0.47) ALDH1A1MAPTSTAT3AVPR2OXTR
SCHEMBL7140109 0.77 L3MBTL1 (0.45) ALDH1A1MAPTL3MBTL1
SCHEMBL6955542 0.77 ALDH1A1 (0.43) ALDH1A1MAPTHTTL3MBTL1
SCHEMBL6971119 0.76 DRD2 (0.46) ALDH1A1MAPTHTTL3MBTL1
SCHEMBL6960033 0.76 AVPR2 (0.53) AVPR2OXTRAVPR1ANAMPT
SCHEMBL6955643 0.75 L3MBTL1 (0.46) ALDH1A1POLBL3MBTL1
SCHEMBL6960079 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1
SCHEMBL6958687 0.75 DRD3 (0.46) ALDH1A1MAPTAVPR2HTTHTR2C
SCHEMBL6969126 0.74 L3MBTL1 (0.45) ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL6969761 0.72 L3MBTL1 (0.43) ALDH1A1MAPTPOLBL3MBTL1

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