SCHEMBL7367409

SCHEMBL7367409

COc1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)ccc1C(=O)N(C)c1ccc(Cl)cc1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
POLB P06746 3/20 0.46
AHR P35869 2/20 0.46
NPC1 O15118 1/20 0.46
MTTP P55157 7/20 0.45
KCNMA1 Q12791 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PNLIP P16233 1/20 0.43
GAA P10253 3/20 0.43
GRM5 P41594 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8814391 0.90 POLB (0.46) HTTPOLBAHRNPC1KCNMA1
SCHEMBL7377166 0.89 AVPR2 (0.48) HTTNPC1KDM4EMEN1KMT2A
SCHEMBL7370837 0.87 MTTP (0.48) HTTPOLBAHRNPC1MTTP
SCHEMBL7376165 0.86 AVPR2 (0.48) HTTPOLBNPC1KDM4EALDH1A1
SCHEMBL7371628 0.85 KCNMA1 (0.48) POLBNPC1MTTPKCNMA1KDM4E
SCHEMBL7372395 0.84 MTTP (0.43) HTTPOLBAHRNPC1MTTP
SCHEMBL7376314 0.83 MTTP (0.42) HTTPOLBAHRNPC1MTTP
SCHEMBL7373278 0.80 MELK (0.45) HTTPOLBAHRMTTPKDM4E
SCHEMBL7513968 0.79 RAB9A (0.46) NPC1KCNMA1KDM4EHIF1AALDH1A1
SCHEMBL7373393 0.79 ALDH1A1 (0.47) NPC1MTTPKCNMA1ALDH1A1GAA

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