SCHEMBL8559564

SCHEMBL8559564

COc1ccc(-c2ccc(C)cc2)c(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.50
XDH P47989 3/20 0.49
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.44
STS P08842 1/20 0.44
PGR P06401 1/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
AURKA O14965 1/20 0.43
CSNK1E P49674 1/20 0.43

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
SCHEMBL8567177 0.87 AR (0.54) ARACHEMAOBPGRPRKAB2
SCHEMBL28802576 0.85 MAOA (0.49) ARXDHMAOBPGRKMT2A
SCHEMBL29331536 0.84 XDH (0.47) ARXDHSTSPGRPRKAB2
SCHEMBL19540534 0.81 XDH (0.41) ARXDHMAOBPGRKMT2A
SCHEMBL18848888 0.80 CYP11B1 (0.46) ARXDHMAOBPGRGSK3A
SCHEMBL2041742 0.80 CYP2C8 (0.56) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29788308 0.80 CYP2C8 (0.56) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15832011 0.80 AR (0.51) ARXDHACHEMAOBPGR
SCHEMBL17955132 0.79 MEN1 (0.40) XDHMAOBPRKAB2PRKAG1PRKAA2
SCHEMBL21136501 0.79 ALDH1A1 (0.56) ARXDHMAOBSTSPGR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598702-B1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same EISAI CO LTD (JP) 1998-06-10 EP disclosed
EP-0628557-B1 Biphenylmethane derivatives, the use of them and pharmacological compositions containing same EISAI CO LTD (JP) 1997-05-02 EP disclosed
US-5506238-A HYPOTENSIVE AGENT EISAI CO., LTD. (JP) 1996-04-09 US disclosed
EP-0420237-B1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same EISAI CO LTD (JP) 1996-03-06 EP disclosed
EP-0628557-A1 Biphenylmethane derivatives, the use of them and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-12-14 EP disclosed
US-5328911-A Cardiovascular disorders, hypotensive agents and congestive heart failure EISAI CO., LTD. (JP) 1994-07-12 US disclosed
EP-0598702-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-05-25 EP disclosed
US-5298518-A Biphenylmethane derivative and pharmacological use EISAI CO., LTD. (JP) 1994-03-29 US disclosed
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed