SCHEMBL7370825

SCHEMBL7370825

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3C=[N+](O)CCCC(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AVPR2 P30518 7/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 1/20 0.37
IDO1 P14902 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.35
AVPR1A P37288 3/20 0.35
AVPR1B P47901 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35

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
SCHEMBL7378632 0.91 AVPR2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL7376623 0.87 AVPR2 (0.40) AVPR2AVPR1AAVPR1B
SCHEMBL7368727 0.86 PPARD (0.42) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL7368726 0.86 PPARD (0.42) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL7377221 0.85 PPARD (0.45) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL7377226 0.85 PPARD (0.45) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL7370821 0.83 GAA (0.39) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL7370827 0.83 GAA (0.39) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL7377003 0.81 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL7377924 0.80 MEN1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4POLB

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-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed