SCHEMBL7375995

SCHEMBL7375995

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(C)cc3OCc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.51
GAA P10253 1/20 0.47
SGMS2 Q8NHU3 1/20 0.47
LRRK2 Q5S007 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7749370 0.93 CYP19A1 (0.49) CYP19A1GAASGMS2LRRK2
SCHEMBL7378156 0.93 LRRK2 (0.48) CYP19A1GAASGMS2LRRK2L3MBTL1
SCHEMBL7374553 0.92 MEN1 (0.48) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL7554720 0.90 MEN1 (0.49) GAAL3MBTL1MAPTSMN1; SMN2RECQL
SCHEMBL7376600 0.89 RXRA (0.48) CYP19A1GAASGMS2MAPTSMN1; SMN2
SCHEMBL7379998 0.88 L3MBTL1 (0.41) CYP19A1GAAL3MBTL1MAPTSMN1; SMN2
SCHEMBL7379127 0.88 GAA (0.44) CYP19A1GAASGMS2MAPTSMN1; SMN2
SCHEMBL7378099 0.87 L3MBTL1 (0.43) GAAL3MBTL1MAPTSMN1; SMN2RECQL
SCHEMBL7369621 0.87 SGMS2 (0.55) CYP19A1GAASGMS2LRRK2NPC1
SCHEMBL8812409 0.86 GAA (0.43) CYP19A1GAASGMS2MAPTSMN1; SMN2

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 4 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
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed