SCHEMBL7370827

SCHEMBL7370827

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3C=NOCCCC(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
AVPR2 P30518 3/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PPARG P37231 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL7370821 1.00 GAA (0.39) GAAPOLBAVPR2CHRNB2CHRNB4
SCHEMBL7378634 0.91 AVPR2 (0.41) GAAPOLBAVPR2L3MBTL1MEN1
SCHEMBL7378630 0.91 AVPR2 (0.41) GAAPOLBAVPR2L3MBTL1MEN1
SCHEMBL7376626 0.87 AVPR2 (0.41) AVPR2
SCHEMBL7377221 0.86 PPARD (0.45) GAAPOLBAVPR2CHRNB2CHRNB4
SCHEMBL7377226 0.86 PPARD (0.45) GAAPOLBAVPR2CHRNB2CHRNB4
SCHEMBL7368726 0.85 PPARD (0.42) GAAPOLBAVPR2CHRNB2CHRNB4
SCHEMBL7368727 0.85 PPARD (0.42) GAAPOLBAVPR2CHRNB2CHRNB4
SCHEMBL7377924 0.85 MEN1 (0.46) GAAPOLBCHRNB2CHRNB4CHRNA3
SCHEMBL7369738 0.84 MEN1 (0.46) GAAPOLBCHRNB2CHRNB4CHRNA3

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